5-Fluoro-1-isopropyl-1H-benzo[d]imidazol-2(3H)-one

Base Information

• Chemical Name: 5-Fluoro-1-isopropyl-1H-benzo[d]imidazol-2(3H)-one
• CAS No.: 146366-01-0
• Molecular Formula: C10H11 F N2 O
• Molecular Weight: 194.21
• DSSTox Substance ID: DTXSID301185696
• Mol file: 146366-01-0.mol

Synonyms:146366-01-0;5-Fluoro-1-isopropyl-1H-benzo[d]imidazol-2(3H)-one;6-fluoro-3-propan-2-yl-1H-benzimidazol-2-one;2H-Benzimidazol-2-one,5-fluoro-1,3-dihydro-1-(1-methylethyl)-(9CI);SCHEMBL4084714;SCHEMBL13071405;DTXSID301185696;EN300-192559;5-fluoro-1,3-dihydro-1-(1-methylethyl)-2H-Benzimidazol-2-one;5-fluoro-1-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

Chemical Property of 5-Fluoro-1-isopropyl-1H-benzo[d]imidazol-2(3H)-one

Chemical Property:

• PSA: 37.79000
• LogP: 2.04960
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.08554114
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

98%min ^*data from raw suppliers

5-fluoro-1-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C2=C(C=C(C=C2)F)NC1=O

Technology Process of 5-Fluoro-1-isopropyl-1H-benzo[d]imidazol-2(3H)-one

There total 4 articles about 5-Fluoro-1-isopropyl-1H-benzo[d]imidazol-2(3H)-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:

2-nitro-4-fluoroaniline (364-78-3) → 5-fluoro-1-isopropyl-1,3-dihydro-2H-benzimidazol-2-one (146366-01-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) TFA, 2.) BH₃*pyridine / 1.) toluene, 2.) toluene

2: H₂ / 10 percent Pd/C / ethanol / 20 °C / 2280 Torr

3: tetrahydrofuran / Ambient temperature

With borane pyridine; hydrogen; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1021/jm981098j

Reference yield:

4-Fluoro-N-(1-methylethyl)-2-nitrobenzenamine (146366-00-9) → 5-fluoro-1-isopropyl-1,3-dihydro-2H-benzimidazol-2-one (146366-01-0)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10 percent Pd/C / ethanol / 20 °C / 2280 Torr

2: tetrahydrofuran / Ambient temperature

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1021/jm981098j

Reference yield:

1,1'-carbonyldiimidazole (530-62-1) + 4-fluoro-N1-isopropyl-benzene-1,2-diamine (153877-87-3) → 5-fluoro-1-isopropyl-1,3-dihydro-2H-benzimidazol-2-one (146366-01-0)

Guidance literature:

In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jm981098j

upstream raw materials:

1,1'-carbonyldiimidazole

4-fluoro-N¹-isopropyl-benzene-1,2-diamine

2-nitro-4-fluoroaniline

4-Fluoro-N-(1-methylethyl)-2-nitrobenzenamine

Downstream raw materials:

6-fluoro-3-isopropyl-5-nitro-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (2-chloro-ethyl)-amide

6-fluoro-3-isopropyl-5-nitro-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid [2-(4-methyl-piperazin-1-yl)-ethyl]-amide

4-nitrophenyl 6-fluoro-3-isopropyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate

C₁₈H₁₉FN₂O₃

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