243167
Methyl (S)-(+)-3-hydroxybutyrate
99%
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About This Item
Linear Formula:
CH3CH(OH)CH2CO2CH3
CAS Number:
Molecular Weight:
118.13
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
EC Number:
258-628-8
Beilstein/REAXYS Number:
6367546
MDL number:
Product Name
Methyl (S)-(+)-3-hydroxybutyrate, 99%
InChI key
LDLDJEAVRNAEBW-BYPYZUCNSA-N
InChI
1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
SMILES string
COC(=O)C[C@H](C)O
assay
99%
form
liquid
optical activity
[α]20/D +19.8°, neat
optical purity
ee: 98% (GLC)
refractive index
n20/D 1.421 (lit.)
bp
63 °C/10 mmHg (lit.)
density
1.071 g/mL at 25 °C (lit.)
functional group
ester
hydroxyl
Quality Level
Application
Methyl (S)-(+)-3-hydroxybutyrate may be used as an intermediate in the synthesis of (-)-methyl elenolate.
Optically active starting material
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
163.4 °F - closed cup
flash_point_c
73 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
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A new route to substituted 3-methoxycarbonyldihydropyrans; enantioselective synthesis of (-)-methyl elenolate.
Hatakeyama S, et al.
Journal of the Chemical Society. Chemical Communications, 17, 1202-1204 (1988)
Xiao-Hong Chen et al.
PloS one, 9(4), e94543-e94543 (2014-04-18)
A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5-fold with an overall yield of 0.4% by purification. The enzyme showed a homotetrameric
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