Methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate

Base Information

• Chemical Name: Methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate
• CAS No.: 306278-47-7
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.255
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80351406
• Wikidata: Q82127801
• ChEMBL ID: CHEMBL1605630
• Mol file: 306278-47-7.mol

Synonyms:306278-47-7;methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate;Methyl 1-ethyl-2-methyl-1H-benzo[d]imidazole-5-carboxylate;1-Ethyl-2-methyl-1H-benzoimidazole-5-carboxylic acid methyl ester;methyl 1-ethyl-2-methyl-1H-1,3-benzodiazole-5-carboxylate;Enamine_002363;MLS000711211;SCHEMBL1731129;CHEMBL1605630;DTXSID80351406;HMS1400L09;HMS2655I10;STK354650;AKOS000536039;BS-22274;SMR000280978;CS-0206182;EU-0033738;SR-01000391518;SR-01000391518-1;Z56823243;methyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate

Chemical Property of Methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate

Chemical Property:

• Boiling Point: 373.6±15.0 °C(Predicted)
• PKA: 5.49±0.25(Predicted)
• PSA: 44.12000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 2.15120
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

Methyl1-ethyl-2-methylbenzimidazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=NC2=C1C=CC(=C2)C(=O)OC)C

Technology Process of Methyl 1-ethyl-2-methylbenzimidazole-5-carboxylate

There total 1 articles about Methyl 1-ethyl-2-methylbenzimidazole-5-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:

methanol (67-56-1) + 2-Methyl-1-ethyl-benzimidazol-carbonsaeure-(5) (2788-73-0) → 1-ethyl-2-methyl-1H-benzoimidazole-5-carboxylic acid methyl ester (306278-47-7)

Guidance literature:

methanol; 1-ethyl-2-methyl-1H-benzoimidazole-5-carboxylic acid; With thionyl chloride; at 20 - 70 ℃; for 24h;

With sodium hydrogencarbonate; In water;

Reference yield:

1-ethyl-2-methyl-1H-benzoimidazole-5-carboxylic acid methyl ester (306278-47-7) → (1-ethyl-2-methyl-1H-benzoimidazol-5-yl)-methanol (4589-67-7)

Guidance literature:

1-ethyl-2-methyl-1H-benzoimidazole-5-carboxylic acid methyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 1.5h;

With water; sodium sulfate; In tetrahydrofuran;

upstream raw materials:

methanol

2-Methyl-1-ethyl-benzimidazol-carbonsaeure-(5)

Downstream raw materials:

(1-ethyl-2-methyl-1H-benzoimidazol-5-yl)-methanol

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