251542
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:
Molecular Weight:
166.17
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2614741
Assay:
≥99%
InChI
1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m0/s1
SMILES string
COC(=O)[C@@H](O)c1ccccc1
InChI key
ITATYELQCJRCCK-QMMMGPOBSA-N
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
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
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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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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