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251542

Sigma-Aldrich

Methyl (S)-(+)-mandelate

≥99%

Synonym(s):

(+)-Methyl (S)-α-hydroxyphenylacetate, (+)-Methyl L-mandelate

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About This Item

Linear Formula:
C6H5CH(OH)CO2CH3
CAS Number:
21210-43-5
Molecular Weight:
166.17
Beilstein:
2614741
MDL number:
MFCD00064246
UNSPSC Code:
12352108
PubChem Substance ID:
24855138
NACRES:
NA.22
Assay:
≥99%

Assay

≥99%

optical activity

[α]20/D +144°, c = 1 in methanol

optical purity

ee: 98% (HPLC)

mp

56-58 °C (lit.)

functional group

ester
hydroxyl
phenyl

SMILES string

COC(=O)[C@@H](O)c1ccccc1

InChI

1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m0/s1

InChI key

ITATYELQCJRCCK-QMMMGPOBSA-N

General description

Optically active building block.

Application

Methyl (S)-(+)-mandelate may be used in the preparation of (S)-(-)2-hydroxy-1,2,2-triphenylethyl acetate[1] and (α′S)-α′-methoxycarbonylbenzyl (2S,4R)-(+)-1,2,4,5-tetrahydro-4-methyl-7,8-methylenedioxy-5-oxo-3-benzothiepin-2-carboxylate.[2]

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBC0241
05815CW
14030JA
10929DC
00612TW

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(R)-(+)-2-Hydroxy-1, 2, 2-Triphenylethyl Acetate.
Braun M, et al.
Organic Syntheses, 32-32 (1993)
Synthesis of novel 2-benzothiopyran and 3-benzothiepin derivatives and their stimulatory effect on bone formation 1.
Oda T, et al.
Journal of Medicinal Chemistry, 42(4), 751-760 (1999)

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