(S,S)-(-)-Hydrobenzoin - ≥99%(GC) , CAS No.2325-10-2

CAS: 2325-10-2 Cat. No.: S161004 Formula: C₁₄H₁₄O₂ Peso molecolare: 214.26 Beilstein Registry Number: 6(3)5431 Numero EC: 811-455-7

GRADE & PURITY ≥99%(GC)

Synonyms

(1S,2S)-1,2-diphenylethane-1,2-diol | 1,2-Ethanediol, 1,2-diphenyl-, (1S,2S)- | MFCD00064255 | SCHEMBL1417856 | AKOS024258669 | (+/-)-Hydrobenzoin | CAA32510 | cis-1,2-Diphenylethane-1,2-diol | (-)-Dihydrobenzoin | DTXSID00357389 | Hydrobenzoin, (-)- | Hy

Storage

Room temperature

Shipped In

Normal

Panoramica

(S,S)-(-)-Hydrobenzoin may also be used to prepare (1S,2S,1′S)- and (1S,2S,1′R)-2-(cyclohex-2′-enyloxy)-1,2-diphenylethanol, which are intermediates to prepare enantiopure cyclohexitols.The (S,S)-(-)-hydrobenzoin/Ca complex may be used to catalyze the direct asymmetric aldol reaction of acetophenone and pivalaldehyde to form (R)-3-hydroxy-4,4-dimethyl-1-phenylpentan-1-one.

C2 symmetric chiral diol with versatile applications as a chiral auxiliary, building block, and chiral ligand

Specifications

Sinonimi

(1S,2S)-1,2-diphenylethane-1,2-diol | 1,2-Ethanediol, 1,2-diphenyl-, (1S,2S)- | MFCD00064255 | SCHEMBL1417856 | AKOS024258669 | (+/-)-Hydrobenzoin | CAA32510 | cis-1,2-Diphenylethane-1,2-diol | (-)-Dihydrobenzoin | DTXSID00357389 | Hydrobenzoin, (-)- | Hy

Specifiche e purezza

≥99%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%(GC)

Nomi e identificatori

Pubchem Sid

488191624

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191624

Sorrisi canonici

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O

IUPAC Name

(1S,2S)-1,2-diphenylethane-1,2-diol

InChIKey

IHPDTPWNFBQHEB-KBPBESRZSA-N

INCHI

1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m0/s1

Isomeri SMILES

C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)O)O

Peso molecolare

214.26

Beilstein

6(3)5431

Reaxy-Rn

2050813

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050813&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Benzene and substituted derivatives Secondary alcohols 1,2-diols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Proprietà chimiche e fisiche

• Rotazione specifica [α]: -95° (C=1,CHCl3)
• Punto di fusione (°C): 148 °C
• Peso molecolare: 214.260 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.099 Da
• Monoisotopic Mass: 214.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 171.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2325-10-2, the molecular formula is C14H14O2, and the molecular weight is 214.26 g/mol. InChIKey IHPDTPWNFBQHEB-KBPBESRZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.