Ctc-8 - ≥95% , CAS No.61305-36-0

CAS: 61305-36-0 Cat. No.: C991643 Fórmula: C₁₁H₂₀O₂Si Peso molecular: 212.360 Número CE: 689-040-3

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C=C1
• IUPAC Name: (4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
• InChIKey: DAPZSGCXUJECAI-SNVBAGLBSA-N
• INCHI: 1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h6-7,10H,8H2,1-5H3/t10-/m1/s1
• Peso molecular: 212.360

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Classe Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Classe: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Silyl ethers Cyclic ketones Organic metalloid salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Trialkylheterosilane - Cyclic ketone - Silyl ether - Ketone - Organic metalloid salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Peso molecular: 212.360 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.123 Da
• Monoisotopic Mass: 212.123 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 261.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

Application Protocols

No validated application protocols are provided for this item in the current dataset.

General guidance (non-item-specific):

• For biochemical assays: prepare fresh DMSO stock, confirm solubility at working concentrations after dilution into assay buffer, and include vehicle controls. Record final DMSO %.
• For cell-based assays: start with a concentration range-finder (e.g., 0.01–30 µM), monitor for precipitation, and include cytotoxicity counterscreens where relevant.
• For analytical QC: develop an HPLC method with a scouting gradient (e.g., 5–95% ACN in water with 0.1% formic acid over 10–15 min) and confirm purity by LC–MS.

Contact technical support with the SKU and lot number for any available in-house protocols.

Biological Roles

The biological function or target class of Ctc-8 is not specified. No mechanism-of-action or pathway information is available in the provided data.

General considerations for small-molecule life-science reagents (non-item-specific):

• If Ctc-8 is intended as a probe, confirm its direct molecular target, binding stoichiometry, and selectivity window via primary literature or vendor tech notes before biological deployment.
• Validate activity in orthogonal assays (e.g., enzymatic vs cell-based) to confirm on-target effects and exclude assay artifacts.
• Determine DMSO stock stability and adsorption to plastics; both can confound dose–response studies.
• Establish a basic ADME profile for in vitro work where relevant: solubility in assay media, chemical stability (pH 2–9), and microsomal stability if biochemical relevance is critical.

Note: No clinical/medical claims are made. This product is supplied strictly for research use only.

Buffer Applications

No buffer system relevance is indicated for Ctc-8. Without knowledge of acid/base properties, pKa, or ionization state, we cannot recommend specific buffering systems or recipes for this item.

Guidance (general):

• If preparing aqueous formulations, first determine solubility and pKa (if applicable) to select an appropriate buffer (e.g., phosphate, HEPES, Tris) and pH range.
• Maintain constant co-solvent content upon dilution from DMSO to avoid precipitation.
• Filter sterilize through 0.22 µm if using in cell-based assays, assuming the compound is filter-stable.

For precise buffer recommendations, please consult the CoA/SDS or provide acid–base characteristics of Ctc-8.

Green Alternatives

Specific hazard/solvent use for Ctc-8 is not provided. Without structural and use-context details, greener alternatives can only be discussed generally.

Greener planning principles (general):

• Prefer water or alcohols (MeOH, EtOH, i-PrOH) over chlorinated or highly toxic solvents when compatible with solubility and reactivity.
• Consider bio-based ethers/esters such as 2-MeTHF or CPME in place of THF/MTBE for certain extractions and reactions, balancing peroxide tendencies and stability.
• Use EtOAc or Me-THF instead of DCM for liquid–liquid extraction where phase behavior allows.
• Select catalysts and reagents with lower toxicity and better atom economy (e.g., organocatalysts, benign oxidants like H2O2 under controlled conditions) when compatible.
• Implement solvent recycling and microscale experimentation to reduce waste.

Compact comparison (general, illustrative):

• DCM vs EtOAc: EtOAc is biodegradable and less toxic, though with different solvency/selectivity.
• THF vs 2-MeTHF: 2-MeTHF is less volatile and derived from renewable feedstocks; water content control can be more challenging.

If you provide the functional class of Ctc-8, we can recommend targeted green substitutions specific to its workflows.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation guidance is provided for Ctc-8. This product is offered for research use only.

General, non-clinical context:

• If Ctc-8 is evaluated as a tool compound in pre-formulation studies, characterize polymorphism (for solids), hygroscopicity, and thermal behavior (DSC/TGA) prior to dosage-form prototyping.
• Establish solubility across biorelevant media (FaSSIF/FeSSIF, pH 1–7.5) and conduct pH–solubility profiling if the compound is ionizable.
• For parenteral research formulations, assess compatibility with common vehicles (e.g., saline with co-solvent, PEG 400, cyclodextrins) and ensure sterility and endotoxin control as required for in vivo research, if applicable.

No therapeutic or clinical claims are made or implied.

Physical Properties

Item-specific specifications are not available in the provided dataset.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature/computed): Not available; consult primary references for CAS 61305-36-0.
• Boiling point (literature/computed): Not available; consult primary references for CAS 61305-36-0.
• Density (literature/computed): Not available.
• Refractive index (literature/computed): Not available.
• LogP, pKa (literature/computed): Not available.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general, when properties are unknown):

• Perform a tiered solubility screen (water, PBS, MeOH, EtOH, ACN, DMSO, DMF, acetone) at small scale (1–5 mg) to identify compatible media for analysis or biological assays.
• For hygroscopic or potentially labile compounds, minimize atmospheric exposure and test for hydrolysis by LC–MS after storage.
• If volatility is suspected, use crimp-sealed vials and minimize heating.
• Establish a preliminary UV–Vis profile (200–400 nm) to anticipate HPLC detector settings, recognizing this is qualitative absent a known chromophore.

Quality and Grades

• Grade/purity: Not specified for this item; refer to CoA/Spec Sheet.

Guidance on typical grades (general information):

• Research grade: Suitable for discovery biology and synthetic work; impurity profiles vary. Verify by LC–MS/GC–MS/NMR for critical applications.
• Analytical/HPLC grade (for solvents): Low UV-absorbing impurities and particulates; optimized for chromatography. Not necessarily relevant if this product is a solid or a non-chromatographic reagent.
• Biochemical grade: Tight limits on bioburden/endotoxin and common reactive impurities that may affect assays.
• ≥95–99% purity (assay): Indicates composition by HPLC/GC/NMR; water, residual solvents, and inorganic content may still require verification depending on use.

What to request for this item:

• CoA with assay method, purity, residual solvents, water (KF), and if relevant, counter-ion content or salt form.
• Lot-specific spectral data (1H/13C NMR, MS) for identity confirmation.
• If used in bioassays, ask for endotoxin and bioburden statements where applicable.

Implications:

• Method development should account for potential minor impurities; employ orthogonal purity checks (e.g., HPLC-UV and LC–MS).

Reaction and Applications

Manufacturer application text is not provided for this item, and the chemical identity/functional groups are not specified. As a result, specific reaction families or applications cannot be authoritatively described for Ctc-8.

General guidance to define applicability:

• From the SDS/CoA, identify key functional groups (e.g., halides, aldehydes, amines, heteroaryl motifs). Map these to common transformations such as cross-coupling, nucleophilic substitutions, amide couplings, reductions/oxidations.
• If Ctc-8 is intended as a biochemical probe (possible given the life-science category), first confirm target class and assay format before planning derivatizations or conjugations.
• Conduct small-scale reactions (≤0.1 mmol) to test stability to bases/acids, heat, and common catalysts.

Analytical support:

• Track purity and conversion by LC–MS or GC–MS with an internal standard. Record UV–Vis maxima if chromatographic detection is UV-based.

Please consult the item-specific documentation or contact technical support with the CAS and lot number for application notes tailored to this product.

Reaction Conditions

No reaction-condition guidance can be provided without the chemical identity and functionality of Ctc-8.

General development playbook (non-item-specific):

• Begin with microscale (0.05–0.10 mmol) screens using robust catalytic systems where applicable (e.g., Pd cross-couplings with XPhos/BrettPhos-type ligands; amide couplings with HATU/EDC). Use anhydrous solvents and inert atmosphere if sensitivity is suspected.
• Temperature: explore 20–100 °C depending on solvent; monitor with LC–MS/GC every 0.5–2 h.
• Stoichiometry: small excess (1.2–1.5 equiv) of coupling partners often improves conversion; adjust based on limiting reagent value.
• Workup: quench cautiously, extract with greener solvents when feasible, and purify by flash chromatography or preparative HPLC as appropriate.

These are general guidelines and not specific to Ctc-8.

Safety and Handling

Safety information for this specific item is not provided in the product data and may vary by lot.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word and pictograms: Not specified for this item; refer to SDS.
• Hazard statements (H-codes): Not specified for this item; refer to SDS.

General laboratory precautions (non-item-specific):

• Handle in a fume hood with standard PPE: lab coat, nitrile gloves, and safety glasses. Escalate to chemically resistant gloves and splash protection if volatility or corrosivity is suspected from SDS.
• Avoid inhalation, ingestion, and skin/eye contact. Prevent release to the environment until hazards are known.
• Incompatibilities: Unknown for this item; keep separated from strong oxidizers/reductants, strong acids/bases, and ignition sources as a precaution until specific data are available.
• First aid (overview; defer to SDS): If on skin/eyes, rinse with water for ≥15 minutes and remove contaminated clothing. If inhaled, move to fresh air. If ingested, do not induce vomiting; seek medical attention.
• Spill response: Absorb with inert material, collect in labeled waste. For powders, avoid dust generation; for liquids, contain spread.

Always consult the item-specific SDS for authoritative guidance.

Solvent Selection

No solvent affinities are provided for Ctc-8. Selection should be established empirically.

Recommended screening workflow (general):

• Start with DMSO and DMF for stock solutions of small-molecule research reagents; they dissolve a wide range of polar/apolar structures.
• Probe miscible protic solvents (MeOH, EtOH, i-PrOH) and aprotic solvents (ACN, acetone) for analytical methods and intermediate dilutions.
• For water compatibility, test PBS (pH 7.4) and 50:50 water:organic blends; watch for precipitation upon dilution from DMSO.
• For hydrophobic candidates, try MeCN, EtOAc, MTBE, toluene, or CPME; for very polar salts, consider water, MeOH, or buffer with pH adjustment.

Small comparison (general considerations):

• DMSO vs DMF: DMSO offers broader solubility and is less volatile; DMF may better match some LC methods but is more moisture sensitive.
• MeOH vs ACN (HPLC): ACN gives lower viscosity and sharper peaks; MeOH is greener/cheaper but can change selectivity.

Tips:

• Prepare concentrated DMSO stocks (e.g., 10–50 mM) and perform stepwise aqueous dilution to avoid precipitation.
• Filter solutions (0.2 µm PTFE/nylon) prior to analytical injections when compatible.
• Verify solvent compatibility with plastics (e.g., DMSO and DMF can craze polystyrene).

Storage and Reconstitution

• Storage conditions (from product data): Room temperature.
• Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
• Physical form/appearance: Not specified for this item; refer to CoA/Spec Sheet.

General best practices (when details are limited):

• Keep tightly closed in the original container. Protect from excessive heat, direct sunlight, and moisture.
• If the compound is air- or moisture-sensitive (unknown here), store under inert gas and consider using a desiccator.
• For solution stocks: if soluble, prepare concentrated stocks in dry DMSO or an appropriate solvent, aliquot to minimize freeze–thaw (if later stored cold), and record exact concentration by weight/volume.
• If precipitation occurs upon dilution to aqueous media, increase co-solvent percentage or adjust pH if compatible.
• Label with preparation date and solvent; assess stability periodically by LC–MS/HPLC.

Research Use Note: For research use only.

Structure and Identity

Brief overview: Ctc-8 is listed for life-science research use; however, key structural identifiers are not provided in the current product data.

• SKU: C991643
• Product name: Ctc-8
• CAS: 61305-36-0 (provided)
• PubChem CID: 10176717 (provided)
• InChIKey: 58480 (provided as-is; note this does not follow the typical 27-character InChIKey format)
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general guidance):

• Without a supplied structure, functional group content, ring systems, stereochemistry, and 2D/3D descriptors cannot be summarized for this item.
• If you have a CoA/SDS for this lot, extract the molecular formula/weight, precise IUPAC name, and any stereochemical descriptors to ensure unambiguous identity prior to method development or biological testing.

Identity verification suggestions (general best practice):

• Acquire 1H/13C NMR and HRMS against the CAS/CID where possible.
• Cross-check retention time and exact mass with an authentic standard if available.
• If the product is a mixture (not known here), use LC–MS and, where relevant, chiral HPLC to assess composition.

Synthetic Utility

The functional groups and reactivity profile of Ctc-8 are not specified; therefore, item-specific synthetic roles cannot be stated.

General strategy to assess synthetic utility of an unfamiliar reagent:

• Classify the scaffold (aliphatic, (hetero)aromatic, macrocyclic, peptide-like) and functional handles (electrophiles, nucleophiles, redox-active sites) from spectral data or literature for the CAS.
• Map to transformations: e.g., aryl halides to cross-coupling (Suzuki, Buchwald–Hartwig), carboxylic acids to amide coupling/esterification, amines to urea/carbamate formation, aldehydes/ketones to reductive amination or olefination.
• Consider protecting group strategy if polyfunctional.
• Evaluate stability under common conditions (strong base, acid, oxidants/reductants) to avoid degradation.

Once identity is confirmed, retrosynthetic analysis can position Ctc-8 as a building block, coupling partner, or late-stage diversification handle as appropriate.

Target Specificity

Target information (e.g., protein target, pathway, organism specificity, clone/isotype if an antibody) is not provided for Ctc-8. No assertions about biological targets or selectivity can be made from the current data.

If Ctc-8 is a biochemical probe:

• Provide binding constants (Kd/IC50), primary target, and known off-targets to define selectivity.
• Include assay format and conditions (buffer, cofactors) to contextualize potency.

Please consult item-specific documentation or share literature references linked to CAS 61305-36-0 for definitive target details.