(E)-Cyclooct-4-enol - ≥98% , CAS No.85081-69-2

CAS: 85081-69-2 Cat. No.: E487313 Formule: C₈H₁₄O Poids moléculaire: 126.2 Numéro CE: 804-384-8

GRADE & PURITY ≥98%

Synonyms

MFCD06252442 | W-202740 | 4-Cyclooctenol | DimethylmalonsA currencyure | Cyclooct-4-enol | 1,1-Dichlor-1-nitroaethan [German] | H10619 | AS-19720 | J-800364 | Volidan | (4E)-CO-OH | 4-Cycloocten-1-ol, stereoisomer | EN300-316153 | 5-hydroxycyclooctene | r

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

227,228,229

Vue d’ensemble

Description

Hydroxyl modified cyclooctene derivative. Cyclooctenes are useful in strain-promoted copper-free click chemistry cycloaddition reactions with 1,2,4,5-tetrazines. This cyclooctene will react with tetrazine functionalized compounds or biomolecules without the need for a catalyst to result in a stable covalent linkage. The 4+2 inverse electron demand Diels-Alder cycloaddition between trans-cyclooctene and tetrazines is the fastest biologically compatible ligation technology reported and has had many applications in biological labeling and imaging.(E)-Cyclooct-4-enol may be used in the multi-step synthesis of trans-cyclooctene geranyl diphosphate, a novel strained-ring containing protein farnesyltransferase (PFTase) substrate that can be used in site-specific modification technologies.

Specifications

Synonymes

MFCD06252442 | W-202740 | 4-Cyclooctenol | DimethylmalonsA currencyure | Cyclooct-4-enol | 1,1-Dichlor-1-nitroaethan [German] | H10619 | AS-19720 | J-800364 | Volidan | (4E)-CO-OH | 4-Cycloocten-1-ol, stereoisomer | EN300-316153 | 5-hydroxycyclooctene | r

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488195533
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195533
• Sourires canoniques: C1CC=CCCC(C1)O
• IUPAC Name: (4Z)-cyclooct-4-en-1-ol
• InChIKey: UCPDHOTYYDHPEN-UPHRSURJSA-N
• INCHI: 1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2/b2-1-
• Isomères SMILES: C1C/C=C\CCC(C1)O
• Poids moléculaire: 126.2
• Reaxy-Rn: 2498868
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2498868&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive;Heat sensitive
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Poids moléculaire: 126.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.104 Da
• Monoisotopic Mass: 126.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 96.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1