1-Methyl-5-nitro-2-benzimidazolebutyric acid

Base Information

• Chemical Name: 1-Methyl-5-nitro-2-benzimidazolebutyric acid
• CAS No.: 31349-48-1
• Molecular Formula: C12H13N3O4
• Molecular Weight: 263.253
• Mol file: 31349-48-1.mol

Synonyms:1-Methyl-5-nitro-2-benzimidazolebutyric acid

Chemical Property of 1-Methyl-5-nitro-2-benzimidazolebutyric acid

Chemical Property:

• Boiling Point: 543.0±30.0 °C(Predicted)
• PKA: 4.67±0.10(Predicted)
• PSA: 100.94000
• Density: 1.43
• LogP: 2.41200

Purity/Quality:

98% ^*data from raw suppliers

4-(1-Methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Methyl-5-nitro-2-benzimidazolebutyric acid

There total 4 articles about 1-Methyl-5-nitro-2-benzimidazolebutyric 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: 98.0%

glutaric anhydride, (108-55-4) + 6-fluoro-3-nitroaniline (369-36-8) + methylamine (74-89-5) → 4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)butanoic acid (31349-48-1)

Guidance literature:

glutaric anhydride,; 6-fluoro-3-nitroaniline; With hydrogenchloride; In toluene; at 85 ℃; for 4h;

methylamine; In water; at 75 ℃; for 3h;

Reference yield:

5-(2-fluoro-5-nitroanilino)-5-oxopentanoic acid (451459-95-3) + methylamine (74-89-5) → 4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)butanoic acid (31349-48-1)

Guidance literature:

5-(2-fluoro-5-nitroanilino)-5-oxopentanoic acid; methylamine; In water; at 75 ℃; for 3h;

With hydrogenchloride; In water; at 55 - 60 ℃;

Reference yield:

glutaric anhydride, (108-55-4) → 4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)butanoic acid (31349-48-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: toluene / 4 h / 70 - 85 °C

2.1: water / 3 h / 75 °C

2.2: 55 - 60 °C

In water; toluene;

upstream raw materials:

glutaric anhydride,

6-fluoro-3-nitroaniline

methylamine

5-(2-fluoro-5-nitroanilino)-5-oxopentanoic acid

Downstream raw materials:

ethyl 4‐(5‐amino‐1‐methyl‐1H‐benzo[d]imidazol‐2‐yl)butanoate

4-{5-[bis-(2-hydroxyl-ethyl)-amino]-1-methyl-1H-benzoimidazol-2yl}-butyric acid ethyl ester

bendamustine hydrochloride

bendamustine

Refernces

• 1、 -. "Process for preparation of Bendamustine". . . Retrieved 2014/02/15.