62780-84-1

Basic information

• Product Name: 1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one
• Synonyms: 1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one;1-(3-Chloropropyl)-1,3-dihydro-3-(1-methylethyl)-2H-benzimidazol-2-one
• CAS NO: 62780-84-1
• Molecular Formula: C₁₃H₁₅ClN₂O
• Molecular Weight: 250.724
• EINECS: 263-730-0
• Mol File: 62780-84-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: 42-44 °C
• Boiling Point: 371.5°C at 760 mmHg
• Flash Point: 178.5°C
• Appearance: /
• Density: 1.204g/cm³
• Vapor Pressure: 1.03E-05mmHg at 25°C
• Refractive Index: 1.573
• PKA: 0.66±0.20(Predicted)
• CAS DataBase Reference: 1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one(62780-84-1)
• EPA Substance Registry System: 1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one(62780-84-1)

Safety Data

• Hazardous Substances Data: 62780-84-1(Hazardous Substances Data)

Usage

Chemical class

Benzimidazole derivative

Functional groups

Chlorine and methylvinyl groups attached to the benzene ring

Common uses

a. Anti-ulcer agent
b. Histamine H2 antagonist

Mechanism of action

Blocks the action of histamine on the stomach, reducing stomach acid production

Applications

a. Treatment of gastroesophageal reflux disease (GERD)
b. Treatment of other conditions involving excessive stomach acid production

InChI:InChI=1/C13H15ClN2O/c1-10(2)16-12-7-4-3-6-11(12)15(13(16)17)9-5-8-14/h3-4,6-7H,1,5,8-9H2,2H3

Upstream product

• 52099-72-6 1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one 
• 14753-26-5 3-chloropropan-1-amine 
• 109-70-6 1.3-chlorobromopropane 
• 95-54-5 1,2-diamino-benzene 
• 6276-48-8 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one 

Downstream Products

• 62780-89-6 1-(3-Chloropropyl)-1,3-dihydrobenzoimidazol-2-one 
• 63388-37-4 Declenperone 
• 62780-92-1 1-(3-hydroxypropyl)benzimidazolin-2-one 

Relevant articles and documents

Synthesis method of domperidone drug intermediate 1-(3-chloropropyl)-benzimidazolyl-2-one

The invention relates to a synthesis method of a domperidone drug intermediate 1-(3-chloropropyl)-benzimidazolyl-2-one, which comprises the following steps: adding 0.19mol of 1-allylbenzoimidazolyl-2-one, 120-140ml of ethylene glycol and 0.26-0.28mol of sodium sulfite, heating to 35-40 DEG C, controlling the stirring rate at 110-130 rpm, dropwisely adding 0.23-0.25mol of 1-amido-3-bromo-propane within 2-3 hours, reacting for 4-5 hours, pouring the reaction product into a sodium chloride solution, extracting with cyclohexanol 5-7 times, drying the cyclohexanol extracting solution with calcium oxide, evaporating to remove the solvent to obtain oily 1-allyl-3-(3-chloropropyl)benzimidazolyl-2-one (3); and adding 120ml of phosphoric acid solution and 60ml of propionitrile into the oily product (3), controlling the stirring rate at 110-130 rpm, heating the solution to 70-75 DEG C, reacting for 3-4 hours, evaporating to remove partial propionitrile, cooling to precipitate a solid, filtering, washing the solid with salt solution, and dehydrating to obtain the 1-(3-chloropropyl)-benzimidazolyl-2-one.

1,3-Dihydro-1-[3-(1-piperidinyl)propyl]-2H-benzimidazol-2-ones and related compounds

Compounds of the class of 1-(benzazolyalkyl)piperidine derivatives useful as antiemetic agents.