2H-Benzimidazol-2-one, 5-chloro-1,3-dihydro-1-(1-methylethenyl)-

Base Information

• Chemical Name: 2H-Benzimidazol-2-one, 5-chloro-1,3-dihydro-1-(1-methylethenyl)-
• CAS No.: 40582-24-9
• Molecular Formula: C10H9ClN2O
• Molecular Weight: 208.6443
• DSSTox Substance ID: DTXSID50193592
• Wikidata: Q83066343
• Mol file: 40582-24-9.mol

Synonyms:40582-24-9;2H-Benzimidazol-2-one, 5-chloro-1,3-dihydro-1-(1-methylethenyl)-;5-Chloro-1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one;SCHEMBL14906711;DTXSID50193592

Chemical Property of 2H-Benzimidazol-2-one, 5-chloro-1,3-dihydro-1-(1-methylethenyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.307g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.0403406
• Heavy Atom Count: 14
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2H-Benzimidazol-2-one, 5-chloro-1,3-dihydro-1-(1-methylethenyl)-

There total 2 articles about 2H-Benzimidazol-2-one, 5-chloro-1,3-dihydro-1-(1-methylethenyl)- 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: 34.0%

ethyl acetoacetate (141-97-9) + 4-Chloro-1,2-phenylenediamine (95-83-0) → 6-Chloro-1,3-dihydro-1-(methylethenyl)-2H-benzimidazol-2-one (120311-75-3) + 5-Chloro-1,3-dihydro-1-(methylethenyl)-2H-benzimidazol-2-one (40582-24-9)

Guidance literature:

With potassium hydroxide; In ethanol; water; xylene; at 150 ℃; for 5h;

Reference yield:

→ 5-Chloro-1,3-dihydro-1-(methylethenyl)-2H-benzimidazol-2-one (40582-24-9)

Guidance literature:

Acetessigester, entspr. Chlorphenylendiamin;

DOI:10.1007/BF00487785

Reference yield:

ethyl bromide (74-96-4) + 5-Chloro-1,3-dihydro-1-(methylethenyl)-2H-benzimidazol-2-one (40582-24-9) → 6-Chloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one (2033-31-0)

Guidance literature:

With hydrogenchloride; tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; Yield given. Multistep reaction; 1.) CH₃CN, reflux, 2.) reflux;

upstream raw materials:

ethyl acetoacetate

4-Chloro-1,2-phenylenediamine

Downstream raw materials:

6-Chloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one