methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride Chemical Properties

Melting point:

217-220 °C

storage temp. 

under inert gas (nitrogen or Argon) at 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

methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride Usage And Synthesis

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

methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride(90942-47-5)Related Product Information

• Benzoic acid, 5-(bromomethyl)-2-methoxy-, methyl ester
• Methyl 5-bromomethyl-2-chlorobenzoate
• METHYL 5-(CHLOROMETHYL)-2-FUROATE