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Merck
CN

479993

4-氨甲基苯甲酸甲酯 盐酸盐

97%

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线性分子式:
H2NCH2C6H4CO2CH3·HCl
化学文摘社编号:
分子量:
201.65
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
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InChI

1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-7(6-10)3-5-8;/h2-5H,6,10H2,1H3;1H

SMILES string

Cl.COC(=O)c1ccc(CN)cc1

InChI key

GIZCKBSSWNIUMZ-UHFFFAOYSA-N

assay

97%

mp

243 °C (dec.) (lit.)

functional group

amine, ester

Quality Level

Application

Methyl 4-(aminomethyl)benzoate hydrochloride may be used in the preparation of methyl 4-((3-butyl-3-phenylureido)methyl)benzoate.

General description

Methyl 4-(aminomethyl)benzoate hydrochloride is an amino acid ester hydrochloride. Its synthesis by esterification reaction has been reported. It plays a role during the preparation of a novel hepatitis C virus (HCV) helicase inhibitor.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Joel A Bergman et al.
Journal of medicinal chemistry, 55(22), 9891-9899 (2012-09-27)
The incidence of malignant melanoma has dramatically increased in recent years thus requiring the need for improved therapeutic strategies. In our efforts to design selective histone deactylase inhibitors (HDACI), we discovered that the aryl urea 1 is a modestly potent
Sahar Kandil et al.
Bioorganic & medicinal chemistry letters, 19(11), 2935-2937 (2009-05-06)
Herein we report a successful application of a computer-aided design approach to identify a novel HCV helicase inhibitor. A de novo drug design methodology was used to generate an initial set of structures that could potentially bind to a putative
Xiaolin Ge et al.
Nature communications, 9(1), 2297-2297 (2018-06-14)
Synthetic polyelectrolytes, capable of fast transporting protons, represent a challenging target for membrane engineering in so many fields, for example, fuel cells, redox flow batteries, etc. Inspired by the fast advance in molecular machines, here we report a rotaxane based
Jiabo Li et al.
Molecules (Basel, Switzerland), 13(5), 1111-1119 (2008-06-19)
A series of amino acid methyl ester hydrochlorides were prepared in good to excellent yields by the room temperature reaction of amino acids with methanol in the presence of trimethylchlorosilane. This method is not only compatible with natural amino acids

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