(1H-Imidazol-2-ylmethyl)methylamine dihydrochloride

Base Information

• Chemical Name: (1H-Imidazol-2-ylmethyl)methylamine dihydrochloride
• CAS No.: 473927-72-9
• Molecular Formula: C5H11Cl2N3
• Molecular Weight: 184.06694
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID10694530
• Mol file: 473927-72-9.mol

Synonyms:(1H-Imidazol-2-ylmethyl)methylamine dihydrochloride;1255717-39-5;1-(1H-imidazol-2-yl)-N-methylmethanamine;dihydrochloride;DTXSID10694530;MFCD07781074;AKOS015894595;BS-40877;(1H-Imidazol-2-ylmethyl)-methyl-amine diHCl;EN300-7387231;(1H-Imidazol-2-ylmethyl)methylaminedihydrochloride;[(1H-imidazol-2-yl)methyl](methyl)amine dihydrochloride;(1H-Imidazol-2-ylmethyl)methylamine dihydrochloride, AldrichCPR;1-(1H-Imidazol-2-yl)-N-methylmethanamine--hydrogen chloride (1/2)

Chemical Property of (1H-Imidazol-2-ylmethyl)methylamine dihydrochloride

Chemical Property:

• PSA: 40.71000
• LogP: 2.12400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.0330028
• Heavy Atom Count: 10
• Complexity: 64.7

Purity/Quality:

98%min ^*data from raw suppliers

(1H-Imidazol-2-ylmethyl)methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=NC=CN1.Cl.Cl

Technology Process of (1H-Imidazol-2-ylmethyl)methylamine dihydrochloride

There total 2 articles about (1H-Imidazol-2-ylmethyl)methylamine dihydrochloride 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: 95.0%

2-imidazolecarbaldehyde (10111-08-7) → 1-(1H-imidazol-2-yl)-N-methylmethanamine (473927-72-9)

Guidance literature:

With sodium borohydrid; methylamine; In methanol; dichloromethane;

Reference yield:

methylamine (74-89-5) + 2-imidazolecarbaldehyde (10111-08-7) → 1-(1H-imidazol-2-yl)-N-methylmethanamine (473927-72-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 50 ℃; for 2h;

DOI:10.1021/jm0497949

Reference yield:

1-(1H-imidazol-2-yl)-N-methylmethanamine (473927-72-9) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl 1H-imidazol-2-yl-methyl-(methyl)carbamate (473927-49-0)

Guidance literature:

1-(1H-imidazol-2-yl)-N-methylmethanamine; benzyl chloroformate; With triethylamine; In tetrahydrofuran; dichloromethane; at 20 ℃; for 1h;

With trifluoroacetic acid; In ethyl acetate; for 0.5h; Heating;

DOI:10.1021/jm0497949

upstream raw materials:

methylamine

2-imidazolecarbaldehyde

Downstream raw materials:

benzyl 1H-imidazol-2-yl-methyl-(methyl)carbamate

[1-(4-amino-3-fluorophenyl)-1H-imidazol-2-ylmethyl]methylcarbamic acid benzyl ester

benzyl {1-[4-({[1-(3-cyano-4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-3-fluorophenyl]-1H-imidazol-2-yl}methyl(methyl)carbamate

[1-(4-{[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluoromethyl-2H-pyrazole-3-carbonyl]-amino}-3-fluoro-phenyl)-1H-imidazol-2-ylmethyl]-methyl-carbamic acid benzyl ester

Refernces

• 1、 Quan, Mimi L.,Lam, Patrick Y. S.,Han, Qi,Pinto, Donald J. P.,He, Ming Y.,Li, Renhua,Ellis, Christopher D.,Clark, Charles G.,Teleha, Christopher A.,Sun, Jung-Hui,Alexander, Richard S.,Bai, Steve,Luettgen, Joseph M.,Knabb, Robert M.,Wong, Pancras C.,Wexler, Ruth R.. "Discovery of 1-(3′-aminobenzisoxazol-5′-yl)-3-trifluoromethyl- N-[2-fluoro-4-[(2′-dimethylaminomethyl)imidazol-1-yl]phenyl] -1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor". . p. 1729 - 1744. Retrieved 2007/10/03.