108057
苯乙酸甲酯
ReagentPlus®, ≥99%
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线性分子式:
C6H5CH2CO2CH3
化学文摘社编号:
分子量:
150.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-940-9
Beilstein/REAXYS Number:
878795
MDL number:
产品名称
苯乙酸甲酯, ReagentPlus®, ≥99%
InChI key
CRZQGDNQQAALAY-UHFFFAOYSA-N
InChI
1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
SMILES string
COC(=O)Cc1ccccc1
product line
ReagentPlus®
assay
≥99%
refractive index
n20/D 1.503 (lit.)
bp
218 °C (lit.)
density
1.066 g/mL at 20 °C (lit.)
Quality Level
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Application
苯乙酸甲酯用作分配系数测量实验的模型化合物。
Biochem/physiol Actions
苯乙酸甲酯在甲醇中光解后会分解。苯基乙酸甲酯用作酰化剂，且会引起 β-内酰胺中间体的对映选择性酰化（使用青霉素 G 酰胺酶）。苯乙酸甲酯是合成香料生产中的原料。
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
存储类别
10 - Combustible liquids
wgk
WGK 1
flash_point_f
211.1 °F - closed cup
flash_point_c
99.5 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Yichen Cao et al.
Journal of pharmaceutical sciences, 93(11), 2768-2779 (2004-09-25)
The ability to predict drug solubility and partitioning in triglyceride solvents from the chemical structures of the solute and the triglyceride would be highly useful in drug formulation development and in screening drug candidates for lipid solubility and possibly drug
Photolysis of phenylacetic acid and methyl phenylacetate in methanol.
Meiggs TO and Miller SI.
Journal of the American Chemical Society, 94(6), 1989-1996 (1972)
Enantioselective acylation of a beta-lactam intermediate in the synthesis of loracarbef using penicillin G amidase.
Zmijewski Jr MJ, et al.
Tetrahedron Letters, 32(13), 1621-1622 (1991)
Jonathan Slaughter et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 23(1), 167-175 (2016-10-30)
In investigating and seeking to mimic the reactivity of trimethylaluminium (TMA) with synthetic, ester-based lubricating oils, the reaction of methyl propionate 1 was explored with 1, 2 and 3 equivalents of the organoaluminium reagent. Spectroscopic analysis points to the formation of
Dengchao Li et al.
Preparative biochemistry & biotechnology, 43(2), 207-216 (2013-01-11)
This study developed a simple, efficient method for producing racemic β-phenylalanine acid (BPA) and its derivatives via the enantioselective acylation catalyzed by the penicillin G acylase from Alcaligenes faecalis (Af-PGA). When the reaction was run at 25°C and pH 10
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