3-(1-Methyl-1H-benzoimidazol-2-yl)-propionic acid

Base Information

• Chemical Name: 3-(1-Methyl-1H-benzoimidazol-2-yl)-propionic acid
• CAS No.: 24786-75-2
• Molecular Formula: C11H12N2O2
• Molecular Weight: 204.22500
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID00389963
• Wikidata: Q82186277
• ChEMBL ID: CHEMBL4204813
• Mol file: 24786-75-2.mol

Synonyms:3-(1-Methyl-1H-benzoimidazol-2-yl)-propionic acid;24786-75-2;3-(1-methylbenzimidazol-2-yl)propanoic acid;CHEMBL4204813;1H-Benzimidazole-2-propanoic acid, 1-methyl-;3-(1-methyl-1H-benzimidazol-2-yl)propanoic acid;Oprea1_040214;SCHEMBL855333;DTXSID00389963;WIKFGRIKIICZOF-UHFFFAOYSA-N;BBL028344;BDBM50455898;STK664119;AKOS000275789;BB 0218171;CS-0300850;FT-0764145;EN300-1137733;3-(1-Methyl-1H-benzoimidazol-2-yl)propanoic acid;SR-01000325114;J-015673;SR-01000325114-1;3-(1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid;3-(1-Methyl-1H-benzo[d]imidazol-2-yl)propanoic acid;3-(1-methyl-1H-1,3-benzimidazol-2-yl)propanoic acid;3-(1-methyl-1H-benzoimidazol-2-yl)-propionic acid, AldrichCPR

Chemical Property of 3-(1-Methyl-1H-benzoimidazol-2-yl)-propionic acid

Chemical Property:

• Melting Point: 181-183 °C
• Boiling Point: 441.3±28.0 °C(Predicted)
• PKA: 3.96±0.10(Predicted)
• PSA: 55.12000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 1.59050
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 204.089877630
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

99%, ^*data from raw suppliers

3-(1-Methyl-1H-benzoimidazol-2-yl)-propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2N=C1CCC(=O)O

Technology Process of 3-(1-Methyl-1H-benzoimidazol-2-yl)-propionic acid

There total 2 articles about 3-(1-Methyl-1H-benzoimidazol-2-yl)-propionic acid 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:

4-(2'-benzimidazolyl)propionic acid (23249-97-0) + methyl iodide (74-88-4) → 3-(1-methyl-1H-benzoimidazol-2-yl)-propionic acid (24786-75-2)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 24h;

Reference yield:

→ 3-(1-methyl-1H-benzoimidazol-2-yl)-propionic acid (24786-75-2)

Guidance literature:

Saeure (I), (CH3)2SO4, nach Bukowski, Sawlewicz, Rozpr. Wydz. 3 Nauk Mat. Przyr. Gdansk. Tow. Nauk. No. 4 <1967> 343;

Reference yield:

N-[biphenyl-2-yl]-L-prolinamide hydrochloride (916143-47-0) + 3-(1-methyl-1H-benzoimidazol-2-yl)-propionic acid (24786-75-2) → N-biphenyl-2-yl-1-[3-(1-methyl-1H-benzimidazol-2-yl)propanoyl]-L-prolinamide

Guidance literature:

With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; In N,N-dimethyl-formamide; at 90 ℃; for 3h;

upstream raw materials:

4-(2'-benzimidazolyl)propionic acid

methyl iodide

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