| Identification | Back Directory | [Name]
methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride | [CAS]
90942-47-5 | [Synonyms]
Methyl 5-(aminomethyl)
-2-chlorobenzoate hydrochloride
methyl 5-(aminomethyl)-2-chlorobenzoate.HCl
methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride
5-AMinoMethyl-2-chloro-benzoic acid Methyl ester hydrochloride | [Molecular Formula]
C9H11Cl2NO2 | [MDL Number]
MFCD16876981 | [MOL File]
90942-47-5.mol | [Molecular Weight]
236.095 |
| Chemical Properties | Back Directory | [Melting point ]
217-220 °C | [storage temp. ]
Inert atmosphere,2-8°C | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C9H10ClNO2.ClH/c1-13-9(12)7-4-6(5-11)2-3-8(7)10;/h2-4H,5,11H2,1H3;1H | [InChIKey]
RVCZOTOWWCOGCQ-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC(CN)=CC=C1Cl.[H]Cl |
| Hazard Information | Back Directory | [Synthesis]
Methyl 5-((tert-butoxycarbonylamino)methyl)-2-chlorobenzoate (100 mg, 0.334 mmol) was used as a raw material, which was dissolved in 1 mL of EtOAc solution saturated with HCl and the reaction was stirred for 2 hours at room temperature. Upon completion of the reaction, the reaction mixture was concentrated and ground with pentane to yield 80 mg of the final target product, methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride. The structure of the product was confirmed by 1H NMR (300 MHz, DMSO-d6): δ 8.20 (br s, 3H), 7.95 (s, 1H), 7.67 (s, 2H), 4.00 (s, 2H), 3.88 (s, 3H). | [References]
[1] Patent: WO2013/38308, 2013, A1. Location in patent: Page/Page column 40; 41
[2] Patent: WO2013/72825, 2013, A1. Location in patent: Page/Page column 38
[3] Patent: US2013/210844, 2013, A1. Location in patent: Paragraph 0298; 0299
[4] Patent: WO2014/167444, 2014, A1. Location in patent: Page/Page column 34; 35 |
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