2-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid

Base Information

• Chemical Name: 2-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid
• CAS No.: 21547-71-7
• Molecular Formula: C₁₁H₁₂N₂O₂S
• Molecular Weight: 236.294
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID60378257
• Nikkaji Number: J819.460B
• Mol file: 21547-71-7.mol

Synonyms:21547-71-7;2-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid;2-(1H-benzimidazol-2-ylsulfanyl)butanoic acid;2-((1H-Benzo[d]imidazol-2-yl)thio)butanoic acid;2-(1h-benzoimidazol-2-ylsulfanyl)butyric acid;Cambridge id 6875278;2-(1 h-benzoimidazol-2-ylsulfanyl)-butyric acid;Oprea1_073114;Oprea1_831024;SCHEMBL10872581;DTXSID60378257;WAA54771;STK523422;AKOS000102240;AKOS016986813;2-(1H-benzimidazol-2-ylthio)butanoic acid;CS-0318304;EU-0080643;FT-0638127;2-[(1H-Benzimidazol-2-yl)thio]butyric acid;2-(1H-benzo[d]imidazol-2-ylthio)butanoic acid;2-(1 h-benzoimidazol-2-ylsulfanyl)butyric acid;AB00122364-01;2-(1h-benzo[d]imidazol-2-ylsulfanyl)butyric acid;2-[(1H-Benzimidazol-2-yl)sulfanyl]butanoic acid;AR-422/41337951

Chemical Property of 2-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid

Chemical Property:

• Vapor Pressure: 2.7E-09mmHg at 25°C
• Boiling Point: 461°Cat760mmHg
• Flash Point: 232.6°C
• PSA: 91.28000
• Density: g/cm³
• LogP: 2.51820
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 236.06194880
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

2-(1H-Benzoimidazol-2-ylsulfanyl)butyricacid 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)SC1=NC2=CC=CC=C2N1

Technology Process of 2-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid

There total 4 articles about 2-(1H-Benzoimidazol-2-ylsulfanyl)-butyric 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: 94.0%

ethyl 2-(2-benzimidazolylthio)butyrate (160004-15-9) → 2-(2-benzimidazolylthio)butyric acid (21547-71-7)

Guidance literature:

With sodium hydroxide; In water; for 3h; Heating;

DOI:10.1007/BF00812716

Reference yield:

Benzimidazol-2-thiol (134469-07-1) → 2-(2-benzimidazolylthio)butyric acid (21547-71-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) EtONa / 1.) EtOH, 30 min, 2.) EtOH, reflux, 5 h

2: 94 percent / NaOH / H₂O / 3 h / Heating

With sodium hydroxide; sodium ethanolate; In water;

DOI:10.1007/BF00812716

Reference yield:

2-Bromobutyric acid (80-58-0) + Benzimidazol-2-thiol (134469-07-1) → 2-(2-benzimidazolylthio)butyric acid (21547-71-7)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 1.) EtOH, 60 deg C, 15 min, 2.) EtOH, reflux, 6 h;

DOI:10.1007/BF00812716

upstream raw materials:

ethyl 2-(2-benzimidazolylthio)butyrate

2-Bromobutyric acid

Benzimidazol-2-thiol

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