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
- Molecular Weight:
- 201.65
- MDL Number:
- MFCD00182671
- MOL File:
- 6232-11-7.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| Methyl 4-(aminomethyl)benzoate hydrochloride 97% | 479993 | 5g | $52.25 |
| Methyl 4-(Aminomethyl)benzoate Hydrochloride >98.0%(HPLC)(N) | M2200 | 1g | $33 |
| Methyl 4-(Aminomethyl)benzoate Hydrochloride >98.0%(HPLC)(N) | M2200 | 5g | $149 |
| Methyl 4-(Aminomethyl)benzoate Hydrochloride | M332840 | 10g | $140 |
| Methyl 4-(Aminomethyl)benzoate Hydrochloride | M332840 | 250mg | $45 |
| More product size | |||
| 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 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29224999 |
METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE price More Price(36)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 479993 | Methyl 4-(aminomethyl)benzoate hydrochloride 97% | 6232-11-7 | 5g | $52.25 | 2025-07-31 | Buy |
| TCI Chemical | M2200 | Methyl 4-(Aminomethyl)benzoate Hydrochloride >98.0%(HPLC)(N) | 6232-11-7 | 1g | $33 | 2025-07-31 | Buy |
| TCI Chemical | M2200 | Methyl 4-(Aminomethyl)benzoate Hydrochloride >98.0%(HPLC)(N) | 6232-11-7 | 5g | $149 | 2025-07-31 | Buy |
| TRC | M332840 | Methyl 4-(Aminomethyl)benzoate Hydrochloride | 6232-11-7 | 10g | $140 | 2021-12-16 | Buy |
| TRC | M332840 | Methyl 4-(Aminomethyl)benzoate Hydrochloride | 6232-11-7 | 250mg | $45 | 2021-12-16 | Buy |
METHYL 4-(AMINOMETHYL)BENZOATE HYDROCHLORIDE Chemical Properties,Uses,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
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Capot Chemical Co.,Ltd. | +86-（0）57185586718; +8613336195806 | sales@capot.com | China | 29735 | 60 |
| Accela ChemBio Inc. | +1-858-6993322 | info@accelachem.com | United States | 21193 | 58 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63687 | 58 |
| Fuxin Pharmaceutical | +86-021-021-50872116 +8613122107989 | contact@fuxinpharm.com | China | 10035 | 58 |
| Guangzhou Yuheng Pharmaceutical Technology Co., Ltd | +8613580539051 | joe@yuhengpharm.com | CHINA | 21142 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418671 +8618949823763 | sales@tnjchem.com | China | 34563 | 58 |
| Win-Win chemical CO., Limited | +86-0086-577-64498589 +86-15355981851 | sales@win-winchemical.com | China | 14359 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | info@dycnchem.com | China | 52846 | 58 |
| CR Corporation Limited | +8613062833949 | fred.wen@crcorporation.cn | China | 8645 | 58 |
| Changzhou Anxuan Chemical Co., Ltd | +86-0519-89882563 +86-18961279162 | andy@anxuanchem.com | China | 4327 | 58 |
