3-(1H-BENZOIMIDAZOL-2-YL)-1,1,1-TRIFLUORO-PROPAN-2-ONE

Base Information

• Chemical Name: 3-(1H-BENZOIMIDAZOL-2-YL)-1,1,1-TRIFLUORO-PROPAN-2-ONE
• CAS No.: 782-55-8
• Molecular Formula: C₁₀H₇F₃N₂O
• Molecular Weight: 228.174
• Hs Code.: 2933990090
• Mol file: 782-55-8.mol

Synonyms:2-Propanone,3-(2-benzimidazolyl)-1,1,1-trifluoro- (6CI,8CI); NSC 363862

Chemical Property of 3-(1H-BENZOIMIDAZOL-2-YL)-1,1,1-TRIFLUORO-PROPAN-2-ONE

Chemical Property:

• Vapor Pressure: 1.04E-05mmHg at 25°C
• Boiling Point: 371.3°C at 760 mmHg
• Flash Point: 178.3°C
• PSA: 45.75000
• Density: 1.444g/cm³
• LogP: 2.23680

Purity/Quality:

97% ^*data from raw suppliers

3-(1H-Benzimidazol-2-yl)-1,1,1-trifluoroacetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(1H-BENZOIMIDAZOL-2-YL)-1,1,1-TRIFLUORO-PROPAN-2-ONE

There total 6 articles about 3-(1H-BENZOIMIDAZOL-2-YL)-1,1,1-TRIFLUORO-PROPAN-2-ONE 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: 91.0%

2-Methyl-1H-benzimidazole (615-15-6) + trifluoroacetic anhydride (407-25-0) → 2-(trifluoroacetonyl)benzimidazole (782-55-8)

Guidance literature:

With pyridine; In benzene; for 24h; Ambient temperature;

DOI:10.3987/COM-98-8268

Reference yield: 71.0%

1,2-diamino-benzene (95-54-5) + 1,1,1-trifluoro-4,4-dibromo-3-buten-2-one (444797-09-5) → 2-(trifluoroacetonyl)benzimidazole (782-55-8)

Guidance literature:

1,2-diamino-benzene; 1,1,1-trifluoro-4,4-dibromo-3-buten-2-one; In diethyl ether; Heating;

With sodium carbonate; In diethyl ether;

DOI:10.1023/B:RUJO.0000003156.65761.7b

Reference yield: 70.0%

1,1,1-trifluoro-4,4-diethoxy-3-buten-2-one (40657-29-2) + 1,2-diamino-benzene (95-54-5) → 2-(trifluoroacetonyl)benzimidazole (782-55-8)

Guidance literature:

In toluene; 1.) 0.5 h; 2.) 90-95 deg C, 3 h;

DOI:10.1016/0022-1139(93)02894-K

upstream raw materials:

1,2-diamino-benzene

ethyl 4,4,4-trifluoroacetoacetate

1,1,1-trifluoro-4,4-diethoxy-3-buten-2-one

2-Methyl-1H-benzimidazole

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