5-Chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one

Base Information

• Chemical Name: 5-Chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one
• CAS No.: 62780-76-1
• Molecular Formula: C10H11 Cl N2 O2
• Molecular Weight: 226.663
• Hs Code.: 2933990090
• European Community (EC) Number: 263-729-5
• UNII: 9HLS4DMG4Q
• DSSTox Substance ID: DTXSID30978445
• Nikkaji Number: J307.130H
• Wikidata: Q82963828
• Mol file: 62780-76-1.mol

Synonyms:62780-76-1;EINECS 263-729-5;5-Chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one;SCHEMBL9721554;DTXSID30978445;KWZXVSVGUXKSJY-UHFFFAOYSA-N;5-Chloro-1-(3-hydroxypropyl)-1H-benzimidazol-2-ol;5-chloro-1,3-dihydro-1(3-hydroxypropyl)-2H-benzimidazol-2-one

Chemical Property of 5-Chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one

Chemical Property:

• PSA: 58.28000
• Density: 1.368g/cm³
• LogP: 1.77770
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.0509053
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=O)N2CCCO
• Uses: Des-(4-(4-fluorobenzoyl)) 1-(3-Hydroxypropyl) Milenperone is an intermediate in the synthesis of Milenperone (M344300), a specific serotonin-S2 antagonist. A selective drug for the control of behavioral disorders in epileptic and alcoholic patients.

Technology Process of 5-Chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one

There total 3 articles about 5-Chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-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:

3-[(2-amino-4-chlorophenyl)amino]-1-propanol (62780-73-8) → 5-chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one (62780-76-1)

Guidance literature:

With hydrogenchloride; In water; 4-methyl-2-pentanone;

Reference yield:

→ 1-(3-hydroxy-propyl)-5-methyl-1,3-dihydro-benzoimidazol-2-one (62780-74-9) + 5-chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one (62780-76-1)

Guidance literature:

Reference yield:

→ 5-chloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one (62780-76-1)

Guidance literature:

3-(2,4-Dichlorphenylamino)-1-propanol, KOCN / H2O;

upstream raw materials:

3-[(2-amino-4-chlorophenyl)amino]-1-propanol

Downstream raw materials:

1-(3-bromo-propyl)-5-chloro-1,3-dihydro-2H-benzimidazol-2-one