Methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate

Base Information

• Chemical Name: Methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate
• CAS No.: 131020-50-3
• Molecular Formula: C10H10N2O2
• Molecular Weight: 190.2
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID701247549
• Mol file: 131020-50-3.mol

Synonyms:131020-50-3;Methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate;methyl 3-methylbenzimidazole-5-carboxylate;1H-Benzimidazole-6-carboxylicacid,1-methyl-,methylester(9CI);Benzylethylsulphide;methyl 1-methyl-1h-benzimidazole-6-carboxylate;SCHEMBL3492748;AMY2138;SQVPAFJTHBHULZ-UHFFFAOYSA-N;DTXSID701247549;MFCD11973677;AKOS006344041;DS-14181;Methyl 1-methylbenzoimidazole-6-carboxylate;CS-0043192;FT-0645612;C72232;EN300-7366309;A909092;Methyl1-methyl-1H-benzo[d]imidazole-6-carboxylate;methyl 1-methyl-1H-1,3-benzodiazole-6-carboxylate;3-methyl-3h-benzimidazole-5-carboxylic acid methyl ester;1h-benzimidazole-6-carboxylic acid,1-methyl-,methyl ester;1H-Benzimidazole-6-carboxylic acid, 1-methyl-, methyl ester

Chemical Property of Methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate

Chemical Property:

• PSA: 44.12000
• LogP: 1.35990
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

Methyl1-methyl-1H-benzo[d]Imidazole-6-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=NC2=C1C=C(C=C2)C(=O)OC

Technology Process of Methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate

There total 6 articles about Methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate 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%

formic acid (64-18-6) + methyl 4-amino-3-(methylamino)benzoate (616224-38-5) → methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate (131020-50-3)

Guidance literature:

at 100 ℃;

DOI:10.1016/j.bmc.2009.01.019

Reference yield:

methyl 1H-benzo[d]imidazole-6-carboxylate (26663-77-4) + methyl iodide (74-88-4) → methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate (131020-50-3) + methyl 1-methyl-1H-benzo[d]imidazole-5-carboxylate (131020-36-5)

Guidance literature:

methyl 1H-benzo[d]imidazole-6-carboxylate; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

methyl iodide; In tetrahydrofuran; at 20 ℃; for 1h; Overall yield = 78 %; Overall yield = 8 g;

Reference yield:

methyl 1H-benzo[d]imidazole-6-carboxylate (26663-77-4) + methyl iodide (74-88-4) → methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate (131020-50-3)

Guidance literature:

methyl 1H-benzo[d]imidazole-6-carboxylate; With sodium hydride; In N,N-dimethyl-formamide; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide;

upstream raw materials:

methyl 1H-benzo[d]imidazole-6-carboxylate

methyl iodide

formic acid

methyl 4-amino-3-(methylamino)benzoate

Downstream raw materials:

1-methyl-6-benzimidazole carboxylic acid

Refernces

• 1、 -. "PRMT5 INHIBITORS AND USES THEREOF". Paragraph 00452. . Retrieved 2014/07/08.
• 2、 Saitoh, Morihisa,Kunitomo, Jun,Kimura, Eiji,Hayase, Yoji,Kobayashi, Hiromi,Uchiyama, Noriko,Kawamoto, Tomohiro,Tanaka, Toshimasa,Mol, Clifford D.,Dougan, Douglas R.,Textor, Garret S.,Snell, Gyorgy P.,Itoh, Fumio. "Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3β". experimental part. p. 2017 - 2029. Retrieved 2009/05/26.