1H-Benzimidazole, 2-chloro-1-(3-thietanyl)-

Base Information

• Chemical Name: 1H-Benzimidazole, 2-chloro-1-(3-thietanyl)-
• CAS No.: 136265-52-6
• Molecular Formula: C10H9ClN2S
• Molecular Weight: 224.71
• DSSTox Substance ID: DTXSID70159751
• Nikkaji Number: J545.122A
• Wikidata: Q83028121
• Mol file: 136265-52-6.mol

Synonyms:BRN 4868064;1H-Benzimidazole, 2-chloro-1-(3-thietanyl)-;2-Chloro-1-(3-thietanyl)-1H-benzimidazole;136265-52-6;2-chloro-1-(thietan-3-yl)benzimidazole;DTXSID70159751;LS-32799;1-(Thietan-3-yl)-2-chloro-1H-benzimidazole

Chemical Property of 1H-Benzimidazole, 2-chloro-1-(3-thietanyl)-

Chemical Property:

• Vapor Pressure: 2.1E-07mmHg at 25°C
• Refractive Index: 1.756
• Boiling Point: 424.2 °C at 760 mmHg
• Flash Point: 210.4 °C
• Density: 1.52 g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 224.0174972
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CS1)N2C3=CC=CC=C3N=C2Cl

Technology Process of 1H-Benzimidazole, 2-chloro-1-(3-thietanyl)-

There total 1 articles about 1H-Benzimidazole, 2-chloro-1-(3-thietanyl)- 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: 73.0%

2-(chloromethyl)thiirane (3221-15-6) + 2-chloro-1H-benzoimidazole (4857-06-1) → 1-(thiethanyl-3)-2-chlorobenzimidazole (136265-52-6)

Guidance literature:

With potassium hydroxide; In water; at 60 ℃; for 3h;

DOI:10.1007/BF00480840

Reference yield: 91.0%

1-(thiethanyl-3)-2-chlorobenzimidazole (136265-52-6) → 2-chloro-1-<3-(1,1-dioxythietanyl)>benzimidazole (159326-43-9)

Guidance literature:

With potassium permanganate; In acetic acid; at 30 ℃; for 2h;

DOI:10.1007/BF00772996

Reference yield: 76.0%

1-(thiethanyl-3)-2-chlorobenzimidazole (136265-52-6) + sodium butanolate (2372-45-4) → 2-(n-butyloxy)-1-(3-thietanyl)benzimidazole (159326-44-0)

Guidance literature:

In butan-1-ol; for 4h; Heating;

DOI:10.1007/BF00772996

upstream raw materials:

2-(chloromethyl)thiirane

2-chloro-1H-benzoimidazole

Downstream raw materials:

2-(n-butyloxy)-1-(3-thietanyl)benzimidazole

2-chloro-1-<3-(1,1-dioxythietanyl)>benzimidazole

Refernces