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Merck
CN

279897

Sigma-Aldrich

(R)-(-)-2-苯基丙酸

97%

别名:

(R)-(-)-氢化阿托酸, (R)-HTA

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About This Item

线性分子式:
CH3CH(C6H5)CO2H
CAS号:
分子量:
150.17
Beilstein:
2207688
MDL编号:
UNSPSC代码:
12352002
PubChem化学物质编号:
NACRES:
NA.22

方案

97%

表单

solid

旋光性

[α]20/D −72°, c = 1.6 in chloroform

光学纯度

ee: 98% (HPLC)

折射率

n20/D 1.523 (lit.)

沸点

115 °C/1 mmHg (lit.)

mp

29-30 °C (lit.)

密度

1.1 g/mL at 25 °C (lit.)

SMILES字符串

C[C@@H](C(O)=O)c1ccccc1

InChI

1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1

InChI key

YPGCWEMNNLXISK-SSDOTTSWSA-N

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应用

手性结构单元。拆分剂

包装

Bottomless glass bottle. Contents are inside inserted fused cone.

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)

230.0 °F - closed cup

闪点(°C)

110 °C - closed cup

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

法规信息

新产品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Christiane Kiske et al.
Journal of agricultural and food chemistry, 67(4), 1187-1196 (2019-01-04)
The enantiomers of a homologous series (C6-C10) of 2-mercapto-4-alkanones were obtained by lipase-catalyzed kinetic resolution of the corresponding racemic 2-acetylthio-4-alkanones. Their configurations were assigned via vibrational circular dichroism and 1H NMR anisotropy based methods. Odor thresholds and odor qualities were
D K Bhattacharyya et al.
The Journal of biological chemistry, 271(4), 2179-2184 (1996-01-26)
Examination of the crystal structure of the ovine prostaglandin endoperoxide synthase-1 (PGHS-1)/S- flurbiprofen complex (Picot, D., Loll, P.J., and Garavito, R.M. (1994) Nature 367, 243-2491) suggests (a) that the carboxyl group of arachidonic acid interacts with the arginino group of
K Akira et al.
Biological & pharmaceutical bulletin, 23(4), 506-510 (2000-04-28)
Internal acyl migration reactions of 1beta-O-acyl glucuronides of 2-arylpropionic acids (profens) are of interest because of their possible role in covalent binding to serum proteins and consequent allergic reactions. The stereoselective degradation of 1beta-O-acyl glucuronides of enantiomeric 2-phenylpropionic acids (PAs)
Stereospecificity of enzyme induction by 2-phenylpropionic acid.
S Fournel et al.
Pharmacology & therapeutics, 33(1), 79-82 (1987-01-01)
A J Hutt et al.
Chirality, 5(8), 596-601 (1993-01-01)
The metabolism of (R,S)-ibuprofen has been investigated in 24 microbial cultures. Of these Cunninghamella elegans, Mucor hiemalis, and Verticillium lecanii catalyzed the oxidation of the drug to 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propionic acid, a known mammalian metabolite. The extent of metabolism was greatest with

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