1123-97-3

Basic information

• Product Name: CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE
• Synonyms: hexahydro-2-benzimidazolinon;hexahydro-2-benzimidazolinone;octahydro-2h-benzimidazol-2-on;Octahydro-2H-benzimidazol-2-one;hexahydro-1H-benzo[d]imidazol-2(3H)-one
• CAS NO: 1123-97-3
• Molecular Formula: C7H12N2O
• Molecular Weight: 140.18298
• Product Categories: Benzimidazoles;Building Blocks;Heterocyclic Building Blocks
• Mol File: 1123-97-3.mol
• Article Data: 8

Chemical Properties

• Melting Point: 149-152 °C(lit.)
• Boiling Point: 218-220 °C/14 mmHg(lit.)
• Flash Point: 181.2 °C
• Appearance: /
• Density: 1.084 g/cm³
• Vapor Pressure: 1.59E-05mmHg at 25°C
• Refractive Index: 1.486
• CAS DataBase Reference: CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE(1123-97-3)
• EPA Substance Registry System: CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE(1123-97-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• RTECS: DE2110000
• Hazardous Substances Data: 1123-97-3(Hazardous Substances Data)

Usage

Description

cis-Octahydro-2H-benzimidazol-2-one is an organic compound with the chemical formula C8H15NO. It is a heterocyclic compound that contains a benzene ring fused to an imidazole ring, and it has a cis-configuration. CIS-OCTAHYDRO-2H-BENZIMIDAZOL-2-ONE is known for its unique chemical properties and potential applications in various fields.

Uses

Used in Chemical Synthesis:
cis-Octahydro-2H-benzimidazol-2-one is used as a key intermediate in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structure and reactivity make it a valuable building block for the development of new molecules with diverse applications.
Used in the Preparation of Hemicyclohexyl-cucurbit[n]uril (hmcyCucn):
cis-Octahydro-2H-benzimidazol-2-one is used in the preparation of hemicyclohexyl-cucurbit[n]uril (hmcyCucn), a type of cucurbituril macrocycle. Cucurbituril macrocycles are known for their ability to form host-guest complexes with various molecular guests, making them useful in supramolecular chemistry, drug delivery, and sensing applications. The incorporation of the cis-Octahydro-2H-benzimidazol-2-one moiety into the hmcyCucn structure may enhance its properties and expand its potential uses in these fields.

InChI:InChI=1/C7H12N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)

Upstream product

• 75-44-5 phosgene 
• 694-83-7 rac-diaminocyclohexane 
• 34126-95-9 2-aminocyclohexanecarboxamide 
• 64162-07-8 2-amino-cyclohexanecarboxylic acid ethyl ester 
• 124-38-9 carbon dioxide 
• 57-13-6 urea 
• 67-56-1 methanol 
• 463-58-1 carbon oxide sulfide 
• 1121-22-8 trans-1,2-Diaminocyclohexane 
• 201230-82-2 carbon monoxide 

Relevant articles and documents

Synthesis of urea derivatives from CO2 and amines catalyzed by polyethylene glycol supported potassium hydroxide without dehydrating agents

Polyethylene glycol supported potassium hydroxide (KOH/PEG1000) was developed as a recyclable catalyst for facile synthesis of urea derivatives from amines and CO2 without utilization of additional dehydrating agents. Primary aliphatic amines, secondary aliphatic amines, and diamines can be converted into the corresponding urea derivatives in moderate yields. Furthermore, the catalyst can be recovered after a simple separation procedure, and reused over 5 times with retention of high activity. Georg Thieme Verlag Stuttgart.

Polynuclear Gold [AuI]4, [AuI]8, and Bimetallic [AuI4AgI] Complexes: C?H Functionalization of Carbonyl Compounds and Homogeneous Carbonylation of Amines

The synthesis of tetranuclear gold complexes, a structurally unprecedented octanuclear complex with a planar [AuI8] core, and pentanuclear [AuI4MI] (M=Cu, Ag) complexes is presented. The linear [AuI4] complex undergoes C?H functionalization of carbonyl compounds under mild reaction conditions. In addition, [AuI4AgI] catalyzes the carbonylation of primary amines to form ureas under homogeneous conditions with efficiencies higher than those achieved by gold nanoparticles.

Efficient copper(II)-catalyzed transamidation of non-activated primary carboxamides and ureas with amines

Amid(e) them all: Primary carboxamides and ureas react with aromatic and aliphatic amines in the presence of a copper catalyst to give a wide range of functionalized amides (see scheme). Copyright