Methyl 2-(aminomethyl)benzoate Hydrochloride

Base Information

• Chemical Name: Methyl 2-(aminomethyl)benzoate Hydrochloride
• CAS No.: 849020-92-4
• Molecular Formula: C9H12ClNO2
• Molecular Weight: 201.653
• Hs Code.: 2922499990
• European Community (EC) Number: 674-276-1
• DSSTox Substance ID: DTXSID00375427
• Mol file: 849020-92-4.mol

Synonyms:849020-92-4;Methyl 2-(aminomethyl)benzoate Hydrochloride;2-Carbomethoxybenzylamine hydrochloride;methyl 2-(aminomethyl)benzoate;hydrochloride;2-CARBOMETHOXYBENZYLAMINEHYDROCHLORIDE;Demethyltetrandrine;methyl 2-(aminomethyl)benzoate hcl;SCHEMBL2159177;DTXSID00375427;RMCMHUFPMHONOO-UHFFFAOYSA-N;ZIB02092;MFCD06245496;AKOS015846698;AB10199;PS-8195;CS-0150794;FT-0677323;methyl 2-(aminomethyl)benzoate-hydrochloride;EN300-199342;A840976;Methyl 2-(aminomethyl)benzoate hydrochloride (1:1);Methyl 2-(aminomethyl)benzoate hydrochloride, AldrichCPR;Z1741964949

Chemical Property of Methyl 2-(aminomethyl)benzoate Hydrochloride

Chemical Property:

• Vapor Pressure: 0.00285mmHg at 25°C
• Melting Point: 170-172 °C
• Boiling Point: 285.2 °C at 760 mmHg
• Flash Point: 143.4 °C
• PSA: 52.32000
• LogP: 2.43420
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.0556563
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

98%min ^*data from raw suppliers

2-CarbomethoxybenzylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1CN.Cl

Technology Process of Methyl 2-(aminomethyl)benzoate Hydrochloride

There total 1 articles about Methyl 2-(aminomethyl)benzoate Hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methyl 2-cyanobenzoate (6587-24-2) → methyl 2-(aminomethyl)benzoate hydrochloride salt (849020-92-4)

Guidance literature:

With hydrogenchloride; hydrogen; palladium 10% on activated carbon; In 1,4-dioxane; methanol; for 2h;

Reference yield: 100.0%

5-Chlorothiophene-2-carboxylic acid (24065-33-6) + methyl 2-(aminomethyl)benzoate hydrochloride salt (849020-92-4) → methyl 2-{[(5-chlorothiophen-2-yl)carbonylamino]methyl}benzoate (1057653-07-2)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 28h;

DOI:10.1016/j.bmc.2011.01.035

Reference yield: 63.0%

methyl 2-(aminomethyl)benzoate hydrochloride salt (849020-92-4) + 4-nitrophenyl 4-(4’,4’,5’,5’-tetramethyl-1’,3’-dioxa-2’-borolan-2’-yl)benzyl carbonate (1254765-89-3) → methyl 2-(((((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)carbonyl)amino)methyl)benzoate (1325206-82-3)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1039/c1cc12526e

upstream raw materials:

methyl 2-cyanobenzoate

Downstream raw materials:

(S)-methyl 2-((1-(5-((2-(tert-butoxycarbonylamino)propanamido)methyl)thiophen-3-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamido)methyl)benzoate

methyl 2-{[(5-chlorothiophen-2-yl)carbonylamino]methyl}benzoate

methyl 2-(((((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)carbonyl)amino)methyl)benzoate

methyl 4'-methylbiphenyl-2-carboxylate

Refernces