479993
Methyl 4-(aminomethyl)benzoate hydrochloride
97%
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About This Item
Linear Formula:
H2NCH2C6H4CO2CH3·HCl
CAS Number:
Molecular Weight:
201.65
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
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
Related Categories
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.
signalword
Warning
hcodes
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
Not applicable
flash_point_c
Not applicable
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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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