1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium

Base Information

• Chemical Name: 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium
• CAS No.: 59592-33-5
• Molecular Formula: C11H16N3S+
• Molecular Weight: 221.32
• DSSTox Substance ID: DTXSID70974986
• Wikidata: Q82959469
• Mol file: 59592-33-5.mol

Synonyms:DTXSID70974986;1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium

Chemical Property of 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium

Chemical Property:

• Vapor Pressure: 2.49E-08mmHg at 25°C
• Boiling Point: 451.2°C at 760 mmHg
• Flash Point: 226.7°C
• PSA: 80.00000
• Density: 1.234g/cm3
• LogP: 3.01610
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 222.10649370
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

98%Min ^*data from raw suppliers

1-(1H-BENZOIMIDAZOL-2-YL)-3-METHYLSULFANYL-PROPYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCC(C1=NC2=CC=CC=C2N1)[NH3+]
• Isomeric SMILES: CSCC[C@@H](C1=NC2=CC=CC=C2N1)[NH3+]

Technology Process of 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium

There total 11 articles about 1-(1H-Benzimidazol-2-yl)-3-(methylsulfanyl)propan-1-aminium 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: 97.1%

L-methionine (63-68-3,26062-47-5,58576-49-1) + 1,2-diamino-benzene (95-54-5) → 1-(1H-benzo[d]imidazol-2-yl)-3-(methylthio)propan-1-amine (59592-33-5,327072-88-8)

Guidance literature:

In toluene; at 85 - 95 ℃; for 9h;

DOI:10.13005/ojc/320111

Reference yield: 75.0%

L-methionine (63-68-3,26062-47-5,58576-49-1) + 1,2-diamino-benzene (95-54-5) → (S)-1-(1H-benzo[d]imidazol-2-yl)-3-(methylthio)propan-1-amine (59592-33-5,327072-88-8)

Guidance literature:

With tin(ll) chloride; In neat (no solvent); at 170 ℃; for 5h;

DOI:10.14233/ajchem.2014.16438

Reference yield: 66.0%

tert-butyl (1-(1H-benzo[d]imidazol-2-yl)-3-(methylhio)propyl)carbamate → (S)-1-(1H-benzo[d]imidazol-2-yl)-3-(methylthio)propan-1-amine (59592-33-5,327072-88-8)

Guidance literature:

With phosphoric acid; In tetrahydrofuran; at 20 ℃;

DOI:10.3109/14756366.2013.879656

upstream raw materials:

N-(t-butoxycarbonyl)methionine

1,2-diamino-benzene

L-methionine

tert-butyl 1-(2-aminophenylamino)-4-(methylthio)-1-oxobutan-2-ylcarbamate

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