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Merck
CN

318035

Sigma-Aldrich

(S)-(-)-α-甲氧基-α-(三氟甲基)苯乙酸

≥99%

别名:

(-)-MTPA, Mosher 酸

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About This Item

线性分子式:
C6H5C(OCH3)(CF3)CO2H
CAS号:
分子量:
234.17
Beilstein:
4684048
EC 号:
MDL编号:
UNSPSC代码:
12352112
PubChem化学物质编号:
NACRES:
NA.22

质量水平

方案

≥99%

旋光性

[α]18/D −72°, c = 1.6 in methanol

光学纯度

ee: 99% (GLC)

折射率

n20/D 1.474 (lit.)

沸点

95-97 °C/0.05 mmHg (lit.)

mp

46-49 °C (lit.)

密度

1.303 g/mL at 25 °C (lit.)

官能团

carboxylic acid
ether
fluoro
phenyl

储存温度

2-8°C

SMILES字符串

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

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

InChI key

JJYKJUXBWFATTE-VIFPVBQESA-N

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一般描述

(S)-(-)-α-甲氧基-α-(三氟甲基)苯乙酸通常用作 Mosher 酯分析和 Mosher 酰胺分析中的衍生剂,这是基于核磁共振法分别测定仲醇和胺类化合物中手性碳中心绝对构型的方法。

包装

无底玻璃瓶。内含物在插入的融合锥体内。

其他说明

doi:10.1038/nprot.2007.354

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

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

靶器官

Respiratory system

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

235.4 °F - closed cup

闪点(°C)

113 °C - closed cup

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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)
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
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
D B Matthews et al.
Journal of chromatography. B, Biomedical sciences and applications, 695(2), 279-285 (1997-08-01)
Methods for the nuclear magnetic resonance and gas chromatographic analysis of the enantiomers of p-trifluoromethylmandelic acid (p-TFM) and Mosher's acid (alpha-methoxy-alpha-(trifluoromethyl)phenylacetic acid) present in rat urine samples are described. Gas chromartography was performed using cyclodextrin capillary columns with both compounds

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