3-(1H-Benzimidazol-2-YL)alanine hydrochloride

Base Information

• Chemical Name: 3-(1H-Benzimidazol-2-YL)alanine hydrochloride
• CAS No.: 90840-35-0
• Molecular Formula: C₁₀H₁₁N₃O₂
• Molecular Weight: 205.216
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00700654
• Mol file: 90840-35-0.mol

Synonyms:3-(1H-BENZIMIDAZOL-2-YL)ALANINE HYDROCHLORIDE;90840-35-0;2-amino-3-(1H-benzimidazol-2-yl)propanoic acid;hydrochloride;DTXSID00700654;MFCD18205908;FT-0683078;3-(1H-Benzimidazol-2-yl)alanine--hydrogen chloride (1/1);119808-07-0

Chemical Property of 3-(1H-Benzimidazol-2-YL)alanine hydrochloride

Chemical Property:

• PSA: 92.00000
• LogP: 2.01960
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 241.0618043
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

98% ^*data from raw suppliers

3-(1H-Benzimidazol-2-yl)alanine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)CC(C(=O)O)N.Cl

Technology Process of 3-(1H-Benzimidazol-2-YL)alanine hydrochloride

There total 8 articles about 3-(1H-Benzimidazol-2-YL)alanine hydrochloride 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:

2-(Hydroxymethyl)benzimidazole (4856-97-7) → rac-(±)-β-benzimidazol-2-ylalanine (90840-35-0)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: sodium ethylate; ethanol / anschliessendes Erhitzen mit wss.HBr

With thionyl chloride; ethanol; sodium ethanolate;

Reference yield:

acetylamino-(1H-benzoimidazol-2-ylmethyl)-malonic acid diethyl ester (97019-21-1) → rac-(±)-β-benzimidazol-2-ylalanine (90840-35-0)

Guidance literature:

With hydrogen bromide;

Reference yield:

3-(1H-benzimidazol-2-yl)-2-benzyloxycarbonylamino-propionic acid (59592-44-8) → rac-(±)-β-benzimidazol-2-ylalanine (90840-35-0)

Guidance literature:

With palladium on activated charcoal; acetic acid; Hydrogenation;

upstream raw materials:

2-chloromethyl-1H-benzimidazole

N-(1-cyano-2-ethylperoxyethyl)-2-phenylacetamide

ethyl 2-acetamido-2-cyanoacetate

acetylamino-(1H-benzoimidazol-2-ylmethyl)-malonic acid diethyl ester

Downstream raw materials:

C₂₃H₂₁N₃O₅

C₂₃H₂₁N₃O₄

C₂₁H₁₉N₅O₃

C₁₉H₁₉N₃O₃