(4S,4'S)-4,4'-Bis(1,1-dimethylethyl)-4,4',5,5'-tetrahydro-2,2'-bioxazole - ≥97% , CAS No.135565-31-0

CAS: 135565-31-0 Cat. No.: S962399 Peso molecular: 252.35 PubChem CID: 15936785
Disponible para pedir
GRADE & PURITY ≥97%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
S962399-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
48,90US$
250mg
S962399-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
99,90US$
1g
S962399-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
364,90US$
5g
S962399-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.343,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasCC(C)(C)C1COC(=N1)C2=NC(CO2)C(C)(C)C
IUPAC Name(4S)-4-tert-butyl-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
InChIKeyDMAXOMSMCSRQLF-NXEZZACHSA-N
INCHI1S/C14H24N2O2/c1-13(2,3)9-7-17-11(15-9)12-16-10(8-18-12)14(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
Isómeros SMILES CC(C)(C)[C@H]1COC(=N1)C2=N[C@H](CO2)C(C)(C)C
PubChem CID 15936785
Peso molecular 252.35

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzolines
SubclassOxazolines
Intermediate Tree Nodes Not available
Direct ParentOxazolines
Alternative Parents Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Oxazoline - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as oxazolines. These are organic compounds containing 1,3-oxazoline, a five-membered ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular252.350 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass252.184 Da
Monoisotopic Mass252.184 Da
Topological Polar Surface Area43.200 Ų
Heavy Atom Count18
Formal Charge0
Complexity348.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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