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458295

Benzyl (S)-(+)-mandelate

Name: Benzyl (<I>S</I>)-(+)-mandelate
Brand: ALDRICH

99%

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About This Item

Linear Formula:

C₆H₅CH(OH)CO₂CH₂C₆H₅

CAS Number:

62173-99-3

Molecular Weight:

242.27

NACRES:

NA.22

PubChem Substance ID:

24869445

UNSPSC Code:

12352108

MDL number:

MFCD00274325

Assay:

99%

Form:

solid

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Properties

assay

99%

form

solid

optical activity

[α]25/D +55°, c = 1 in chloroform

mp

104-107 °C (lit.)

functional group

ester, hydroxyl, phenyl

SMILES string

O[C@H](C(=O)OCc1ccccc1)c2ccccc2

InChI

1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m0/s1

InChI key

JFKWZVQEMSKSBU-AWEZNQCLSA-N

Description

Application

Benzyl (S)-(+)-mandelate can be used as a reactant to prepare:

α-Hydroxy-N-(2-phenylethyl)benzenepropanamide by reacting with benzeneethanamine.
Benzyl-2-fluoro-2-phenylacetate by deoxyfluorination of alcohols.

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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Certificates of Analysis (COA)

Lot/Batch Number

14826CQ

09823CC

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Stereoselective Pseudomonas cepacia lipase mediated synthesis of α-hydroxyamides

Adamczyk M, et al.

Tetrahedron Asymmetry, 8(15), 2509-2512 (1997)

AlkylFluor: Deoxyfluorination of Alcohols.

Goldberg NW, et al.

Organic Letters, 18(23), 6102-6104 (2016)

Global Trade Item Number

SKU	GTIN
458295-5G	04061832719184