ChemicalBook > CAS DataBase List > METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE

METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE

Product Name
METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE
CAS No.
6232-11-7
Chemical Name
METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE
Synonyms
BUTTPARK 33\11-77;4-(Aminomethyl)benzoate hcl;Methyl4-(aminomethyl)benzoateHCl;4-(Aminomethyl)benzoate monohydrochloride;4-METHOXYCARBONYL-BENZYLAMINE HYDROCHLORIDE;METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE;Methyl p-(Aminomethyl)benzoate Hydrochloride;Methyl4-(Aminomethyl)benzoateHydrochloride>Methyl 4-(aMinoMethyl)benzoate hydrochloride 97%;Methyl 4-(aminomethyl)benzoate hydrochloride,97%
CBNumber
CB1295456
Molecular Formula
C9H12ClNO2
Formula Weight
201.65
MOL File
6232-11-7.mol
More
Less

METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE Property

Melting point:
243 °C (dec.)(lit.)
storage temp. 
Inert atmosphere,Room Temperature
form 
Crystalline Powder
color 
White
InChI
InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-7(6-10)3-5-8;/h2-5H,6,10H2,1H3;1H
InChIKey
GIZCKBSSWNIUMZ-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=CC=C(CN)C=C1.[H]Cl
CAS DataBase Reference
6232-11-7
More
Less

Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29224999
More
Less

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

More
Less

N-Bromosuccinimide Price

Sigma-Aldrich
Product number
479993
Product name
Methyl 4-(aminomethyl)benzoate hydrochloride
Purity
97%
Packaging
5g
Price
$52.25
Updated
2025/07/31
TCI Chemical
Product number
M2200
Product name
Methyl 4-(Aminomethyl)benzoate Hydrochloride
Purity
>98.0%(HPLC)(N)
Packaging
1g
Price
$33
Updated
2025/07/31
TCI Chemical
Product number
M2200
Product name
Methyl 4-(Aminomethyl)benzoate Hydrochloride
Purity
>98.0%(HPLC)(N)
Packaging
5g
Price
$149
Updated
2025/07/31
TRC
Product number
M332840
Product name
Methyl 4-(Aminomethyl)benzoate Hydrochloride
Packaging
10g
Price
$140
Updated
2021/12/16
TRC
Product number
M332840
Product name
Methyl 4-(Aminomethyl)benzoate Hydrochloride
Packaging
250mg
Price
$45
Updated
2021/12/16
More
Less

METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE Chemical Properties,Usage,Production

Chemical Properties

White crystalline powder

Uses

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.

Synthesis

56-91-7

6232-11-7

4-(Aminomethyl)benzoic acid (302 mg, 2.00 mmol) was dissolved in methanol (30 mL) and thionyl chloride (1.16 mL, 16.0 mmol) was added slowly and dropwise at room temperature. The reaction mixture was stirred at room temperature overnight. Subsequently, the solvent was removed by distillation under reduced pressure to afford the target product, methyl 4-aminomethylbenzoate hydrochloride (15d), as a colorless solid in 390 mg (97%) yield with a melting point of 234 °C. The molecular formula was C9H12ClNO2 (molecular weight 201.7). Thin layer chromatography (TLC) analysis showed an Rf value of 0.22 (Expanding agent: ethyl acetate/1% diethylmethylamine, detection wavelength 254 nm). Nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 400 MHz, DMSO-D6) showed chemical shifts δ [ppm]: 3.86 (single peak, 3H, CO2CH3), 4.10 (single peak, 2H, H3NCH2), 7.63-7.67 (multiple peaks, 2H, 3-HB, 5-HB), 7.96-8.01 (multiple peaks, 2H, 2-HB, 6 -HB), 8.61 (broad peaks, 3H, NH3). Nuclear magnetic resonance carbon spectra (13C NMR, 101 MHz, DMSO-D6) showed chemical shifts δ [ppm]: 41.7 (1C, H3NCH2), 52.2 (1C, CO2CH3), 129.2 (2C, C-3B, C-5B), 129.3 (2C, C-2B, C-6B), 129.5 (1C, C-1B). 139.4 (1C, C-4B), 165.9 (1C, CO2CH3). Fourier transform infrared spectroscopy (FT-IR) showed absorption peaks ν [cm-1]: 2963 (NH3+), 2878 (C-H aliphatic), 2573 (NH3+), 1678 (C=O), 1597, 1578, 1477 (C=C aromatic), and 864 (aromatic ring out-of-plane bending vibration). High resolution mass spectrometry (HRMS, APCI) showed m/z = 166.0865 (calculated value C9H12NO2 [M+H]+: 166.0863). High performance liquid chromatography (HPLC) analysis showed retention time tR = 6.4 min and purity 99.9%.

References

[1] Angewandte Chemie - International Edition, 2011, vol. 50, # 21, p. 4872 - 4875
[2] European Journal of Medicinal Chemistry, 2017, vol. 129, p. 124 - 134
[3] Patent: US5585381, 1996, A

METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE Preparation Products And Raw materials

Raw materials

Preparation Products

More
Less

METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE Suppliers

YangZhou Ruihong Biotech Co., Ltd.
Tel
0514-15380367604 15850576331
Email
591834516@qq.com
Country
China
ProdList
686
Advantage
58
J & K SCIENTIFIC LTD.
Tel
18210857532; 18210857532
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
4006356688 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
Advantage
81
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44801
Advantage
61
Jia Xing Isenchem Co.,Ltd
Tel
0573-85285100 18627885956
Fax
0573-85285100
Email
isenchem@163.com
Country
China
ProdList
9310
Advantage
66
Nanjing Chemlin Chemical Co., Ltd
Tel
025-83697070
Fax
+86-25-83453306
Email
info@chemlin.com.cn
Country
China
ProdList
16075
Advantage
64
Shanghai Ennopharm Co., Ltd.
Tel
+86 (21) 6435-5022
Country
China
ProdList
4267
Advantage
65
Sci General Material & Chemical Ltd
Tel
021-58388037;21-58388037 13472507714
Email
35177634@qq.com;1589045147@qq.com
Country
China
ProdList
803
Advantage
55
Thermo Fisher Scientific
Tel
800-810-5118
Fax
+86-10-84193589
Email
cnchemical@thermofisher.com
Country
China
ProdList
17770
Advantage
75

6232-11-7, METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDERelated Search:


  • METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE
  • 4-METHOXYCARBONYL-BENZYLAMINE HYDROCHLORIDE
  • 4-(AMINOMETHYL)BENZOIC ACID METHYL ESTER HYDROCHLORIDE
  • BUTTPARK 33\11-77
  • Methyl4-(aminomethyl)benzoateHCl
  • Methyl 4-(aminomethyl)benzoate hydrochloride,97%
  • 4-(Aminomethyl)benzoate monohydrochloride
  • Benzoic acid, 4-(aminomethyl)-, methyl ester, hydrochloride (1:1)
  • 4-(Methoxycarbonyl)benzylamine hydrochloride, [4-(Methoxycarbonyl)phenyl]methylamine hydrochloride
  • Methyl 4-(aMinoMethyl)benzoate hydrochloride 97%
  • 4-(Aminomethyl)benzoate hcl
  • Methyl p-(Aminomethyl)benzoate Hydrochloride
  • Methyl4-(Aminomethyl)benzoateHydrochloride&gt
  • Benzenesulfonylchloride,4-methoxy-2-methyl-5-(6-methylethyl)-
  • 4-(aminomethyl)-Benzoic acid methyl ester hydrochloride (1:1)
  • 6232-11-7
  • H2NCH2C6H4CO2CH3HCl
  • AMINE
  • Building Blocks
  • C8 to C9
  • Carbonyl Compounds
  • Esters
  • Organic Building Blocks
  • DY-25G
  • C8 to C9
  • Carbonyl Compounds
  • Esters