(S)-(-)-1,1-Diphenyl-1,2-propanediol - ≥99% , CAS No.46755-94-6

CAS: 46755-94-6 Cat. No.: S103790 Molecular Weight: 228.29 Beilstein Registry Number: 3202232 EC Number: 443-220-6 PubChem CID: 736300

GRADE & PURITY ≥99%

Synonyms

SCHEMBL6021075 | (S)-1,1-diphenyl-1,2-propanediol | (2s)-1,1-diphenylpropane-1,2-diol | AS-60919 | (S)-(-)-1,1-Diphenyl-1,2-propanediol | (S)-1,1-Diphenylpropane-1,2-diol | DTXSID90352989 | (S)-(-)-1,1-Diphenyl-1,2-propanediol, 99% | W-202821 | RQKXFLUAQL

Storage

Room temperature

Shipped In

Normal

Overview

Product Application：
Chiral glycol for the synthesis of chiral sulfoxides and epoxides.

Specifications

Synonyms

SCHEMBL6021075 | (S)-1, 1-diphenyl-1, 2-propanediol | (2s)-1, 1-diphenylpropane-1, 2-diol | AS-60919 | (S)-(-)-1, 1-Diphenyl-1, 2-propanediol | (S)-1, 1-Diphenylpropane-1, 2-diol | DTXSID90352989 | (S)-(-)-1, 1-Diphenyl-1, 2-propanediol, 99% | W-202821 | RQKXFLUAQL

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504760051
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760051
• Canonical Smiles: CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)O
• IUPAC Name: (2S)-1,1-diphenylpropane-1,2-diol
• InChIKey: RQKXFLUAQLDHMO-LBPRGKRZSA-N
• INCHI: 1S/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3/t12-/m0/s1
• Isomeric SMILES: C[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)O
• WGK Germany: 3
• PubChem CID: 736300
• Molecular Weight: 228.29
• Beilstein: 3202232

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpropanes Tertiary alcohols Secondary alcohols 1,2-diols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Tertiary alcohol - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Chemical and Physical Properties

• Melt Point(°C): 89-92°C
• Molecular Weight: 228.290 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.115 Da
• Monoisotopic Mass: 228.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 209.000
• 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