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166979

Sigma-Aldrich

Dimethyl 3-hydroxyglutarate

98%

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About This Item

Linear Formula:
CH3OCOCH2CH(OH)CH2COOCH3
CAS Number:
Molecular Weight:
176.17
Beilstein:
1776666
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

refractive index

n20/D 1.442 (lit.)

bp

139-140 °C/8 mmHg (lit.)

density

1.192 g/mL at 25 °C (lit.)

SMILES string

COC(=O)CC(O)CC(=O)OC

InChI

1S/C7H12O5/c1-11-6(9)3-5(8)4-7(10)12-2/h5,8H,3-4H2,1-2H3

InChI key

CUPGMRSSZADEIW-UHFFFAOYSA-N

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General description

Enantioselective hydrolysis and ammonolysis of dimethyl-3-hydroxyglutarate has been studied using immobilized lipase B isolated from Candida antarctica.

Application

Dimethyl 3-hydroxyglutarate was used in the synthesis of two chiral fragments representing C1-11 and C12-25 of the polyene macrolide pimaricin.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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A convergent synthetic strategy for the polyene macrolide pimaricin.
Brooks DW and Palmer JT.
Tetrahedron Letters, 24(30), 3059-3062 (1983)
Enantioselective enzymatic preparation of chiral glutaric monocarboxylic acids and amides.
Jacobsen EE, et al.
Journal of Molecular Catalysis. B, Enzymatic, 21(1), 55-58 (2003)

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