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Merck
CN

318035

(S)-(−)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid

≥99%

Synonym(s):

(−)-MTPA, Mosher’s acid

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About This Item

Linear Formula:
C6H5C(OCH3)(CF3)CO2H
CAS Number:
17257-71-5
Molecular Weight:
234.17
UNSPSC Code:
12352112
NACRES:
NA.22
PubChem Substance ID:
24859111
EC Number:
241-292-1
Beilstein/REAXYS Number:
4684048
MDL number:
MFCD00064200
Assay:
≥99%

Key Documents

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InChI key

JJYKJUXBWFATTE-VIFPVBQESA-N

InChI

1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1

SMILES string

CO[C@](C(O)=O)(c1ccccc1)C(F)(F)F

assay

≥99%

optical activity

[α]18/D −72°, c = 1.6 in methanol

optical purity

ee: 99% (GLC)

refractive index

n20/D 1.474 (lit.)

bp

95-97 °C/0.05 mmHg (lit.)

mp

46-49 °C (lit.)

density

1.303 g/mL at 25 °C (lit.)

functional group

carboxylic acid, ether, fluoro, phenyl

storage temp.

2-8°C

Quality Level

200

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General description

(S)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid is commonly used as a derivatizing agent in Mosher ester analysis and Mosher amide analysis, which are NMR-based methods for determining the absolute configuration of the chiral carbon center in secondary alcohols and amines, respectively.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

doi:10.1038/nprot.2007.354

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF3911
1427186
1427186V
1399183
1388760

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Mosher ester analysis for the determination of absolute configuration of stereogenic (chiral) carbinol carbons.
Hoye TR, et al.
Nature Protocols, 2(10), 2451-2458 (2007)
J Martín Torres-Valencia et al.
Phytochemical analysis : PCA, 13(6), 329-332 (2002-12-24)
A method to determine the absolute configuration of 2,3-epoxy-2-methylbutanoate ester residues in natural products is presented, based on (i) the reduction of the ester function to yield a 2-methyl-1,2-butanediol, (ii) esterification of the obtained primary alcohol with either (R)-(+)- or
Giancarlo Cravotto et al.
Chirality, 16(8), 526-533 (2004-08-04)
Cyclodextrin (CD) derivatives are important selectors for analytical chiral recognition. Their enantioselectivities and chemical properties depend on ring size and on nature, number and location of substituents. This paper describes the synthesis of 6-O-TBDMS-2,3-O-methyl beta-cyclodextrins bearing in position 2 either
Hiroshi Hasegawa et al.
Journal of mass spectrometry : JMS, 46(5), 502-507 (2011-04-19)
D-Serine is a co-agonist of the N-methyl-D-aspartate receptor in glutamate neurotransmission and has been proposed as a potential therapeutic agent for schizophrenia. However, D-serine also acts as a nephrotoxic substance in rats at high doses. To investigate the pharmacokinetics and
Bin Sui et al.
The Journal of organic chemistry, 75(9), 2942-2954 (2010-04-17)
Two different mixture synthesis routes have been used to make the four stereoisomers of petrocortyne A. A first quick and dirty route provided a mixture of the four isomers in nonselective fashion. Mosher and 2-naphthylmethoxyacetic acid (NMA) ester methods were
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