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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%

optical activity

[α]20/D +144°, c = 1 in methanol

optical purity

ee: 98% (HPLC)

mp

56-58 °C (lit.)

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 and (α′S)-α′-methoxycarbonylbenzyl (2S,4R)-(+)-1,2,4,5-tetrahydro-4-methyl-7,8-methylenedioxy-5-oxo-3-benzothiepin-2-carboxylate.

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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