Cas no 477259-60-2 ((1R)-2-chloro-1-(6-chloro-3-pyridyl)ethanol)

(1R)-2-chloro-1-(6-chloro-3-pyridyl)ethanol structure
477259-60-2 structure
Product Name:(1R)-2-chloro-1-(6-chloro-3-pyridyl)ethanol
CAS No:477259-60-2
MF:C7H7Cl2NO
MW:192.042579889297
CID:5598709
PubChem ID:86593572
Update Time:2023-10-31

(1R)-2-chloro-1-(6-chloro-3-pyridyl)ethanol Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL6541805
    • 477259-60-2
    • (1R)-2-chloro-1-(6-chloro-3-pyridyl)ethanol
    • (alphaR)-6-Chloro-alpha-(chloromethyl)-3-pyridinemethanol
    • DTXSID301231481
    • KHZVWUAORXVNOZ-LURJTMIESA-N
    • Inchi: 1S/C7H7Cl2NO/c8-3-6(11)5-1-2-7(9)10-4-5/h1-2,4,6,11H,3H2/t6-/m0/s1
    • InChI Key: KHZVWUAORXVNOZ-LURJTMIESA-N
    • SMILES: ClC[C@@H](C1C=NC(=CC=1)Cl)O

Computed Properties

  • Exact Mass: 190.9904692g/mol
  • Monoisotopic Mass: 190.9904692g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 123
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 33.1?2

(1R)-2-chloro-1-(6-chloro-3-pyridyl)ethanol Production Method

Production Method 1

Reaction Conditions
1.1C:9028-12-0, C:9028-53-9, S:H2O, S:DMSO, 4 h, 30°C, pH 7.5
Reference
Application of biocatalysis towards asymmetric reduction and hydrolytic desymmetrisation in the synthesis of a β-3 receptor agonist
By Badland, Matthew et al, Green Chemistry, 2011, 13(10), 2888-2894

(1R)-2-chloro-1-(6-chloro-3-pyridyl)ethanol Raw materials

(1R)-2-chloro-1-(6-chloro-3-pyridyl)ethanol Preparation Products

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