Cas no 66729-02-0 ((2R,3S)-3-hydroxy-2-methyl-butanoic acid)

(2R,3S)-3-hydroxy-2-methyl-butanoic acid structure
66729-02-0 structure
Product Name:(2R,3S)-3-hydroxy-2-methyl-butanoic acid
CAS No:66729-02-0
MF:C5H10O3
MW:118.131102085114
CID:964515
PubChem ID:11815846
Update Time:2025-04-19

(2R,3S)-3-hydroxy-2-methyl-butanoic acid Chemical and Physical Properties

Names and Identifiers

    • (2R,3S)-3-hydroxy-2-methyl-butanoic acid
    • (2R,3S)-3-Hydroxy-2-methylbutyric acid
    • LogP
    • Erythronilate
    • CHEBI:173461
    • 3R-hydroxy-2S-methyl-butanoic acid
    • (2R,3S)-3-hydroxy-2-methylbutanoic acid
    • 3-hydroxy-2-methyl-[S-(R*,S*)]-Butanoic acid
    • SCHEMBL2932270
    • (2R,3S)-3-Hydroxy-2-methylbutyrate
    • AKOS006377043
    • DTXSID80473410
    • 3-hydroxy-2-methyl-[S-(R*,S*)]-Butanoate
    • 66729-02-0
    • Erythronilic acid
    • LMFA01050393
    • (-)-erythro-Nilate
    • (-)-erythro-Nilic acid
    • VEXDRERIMPLZLU-DMTCNVIQSA-N
    • Inchi: 1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m1/s1
    • InChI Key: VEXDRERIMPLZLU-DMTCNVIQSA-N
    • SMILES: O[C@@H](C)[C@H](C(=O)O)C

Computed Properties

  • Exact Mass: 118.063
  • Monoisotopic Mass: 118.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 89.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.136
  • Boiling Point: 242.8°C at 760 mmHg
  • Flash Point: 114.9°C
  • Refractive Index: 1.455
  • PSA: 57.53

(2R,3S)-3-hydroxy-2-methyl-butanoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ,  Water ;  16 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Mechanistic Studies of Fatty Acid Activation by CYP152 Peroxygenases Reveal Unexpected Desaturase Activity
Pickl, Mathias; et al, ACS Catalysis, 2019, 9(1), 565-577

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Ethanol ,  Water ;  0 °C; 0 °C → rt; 3 h, rt
1.2 Reagents: Potassium hydroxide Solvents: Methanol ,  Water ;  16 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Mechanistic Studies of Fatty Acid Activation by CYP152 Peroxygenases Reveal Unexpected Desaturase Activity
Pickl, Mathias; et al, ACS Catalysis, 2019, 9(1), 565-577

(2R,3S)-3-hydroxy-2-methyl-butanoic acid Raw materials

(2R,3S)-3-hydroxy-2-methyl-butanoic acid Preparation Products

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