ethyl (2-methyl-1H-benzimidazol-1-yl)acetate

Base Information

• Chemical Name: ethyl (2-methyl-1H-benzimidazol-1-yl)acetate
• CAS No.: 97420-36-5
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.255
• DSSTox Substance ID: DTXSID80354013
• Wikidata: Q82131931
• ChEMBL ID: CHEMBL1439539
• Mol file: 97420-36-5.mol

Synonyms:ethyl (2-methyl-1H-benzimidazol-1-yl)acetate;97420-36-5;ethyl 2-(2-methylbenzimidazol-1-yl)acetate;1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester;MLS000109621;CHEMBL1439539;SCHEMBL16421959;DTXSID80354013;HMS2300G03;STK192084;AKOS000650140;CCG-107155;SMR000105561;SR-01000439032;SR-01000439032-1

Chemical Property of ethyl (2-methyl-1H-benzimidazol-1-yl)acetate

Chemical Property:

• Melting Point: 186-188 °C(Solv: ethanol (64-17-5))
• Boiling Point: 373.7±25.0 °C(Predicted)
• PKA: 4.81±0.10(Predicted)
• PSA: 44.12000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 1.90780
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 257

Purity/Quality:

ETHYL 2-(2-METHYL-1H-1,3-BENZODIAZOL-1-YL)ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C(=NC2=CC=CC=C21)C

Technology Process of ethyl (2-methyl-1H-benzimidazol-1-yl)acetate

There total 3 articles about ethyl (2-methyl-1H-benzimidazol-1-yl)acetate 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-Methyl-1H-benzimidazole (615-15-6) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetate (97420-36-5)

Guidance literature:

With polyethylene glycol-4000; potassium carbonate; In acetone; at 20 ℃;

Reference yield: 92.0%

2-Methyl-1H-benzimidazole (615-15-6) + ethyl bromoacetate (105-36-2) → ethyl 2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetate (97420-36-5)

Guidance literature:

With triethanolamine; at 20 ℃; for 0.1h; Sonication; Green chemistry;

Reference yield: 73.0%

→ ethyl 2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetate (97420-36-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 1h;

In N,N-dimethyl-formamide; mineral oil; at 20 ℃;

upstream raw materials:

2-Methyl-1H-benzimidazole

chloroacetic acid ethyl ester

ethyl bromoacetate

Downstream raw materials:

amide of 2-methylbenzimidazolyl-1-acetic acid

2-(2-methyl-1H-benzimidazol-1-yl)acetohydrazide

4-phenyl-1-[1-carbonylmethyl-(2-methyl-1H-benzimidazole)]-thiosemicarbazide

1-[(4-phenyl-3-thioxy-4H-1,2,4-triazol-5-yl)methyl]-2-methyl-1H-benzimidazoles