1,3-Dihydro-1,3-bis(2-hydroxyethyl)-2H-benzimidazol-2-one

Base Information

• Chemical Name: 1,3-Dihydro-1,3-bis(2-hydroxyethyl)-2H-benzimidazol-2-one
• CAS No.: 39936-67-9
• Molecular Formula: C11H14N2O3
• Molecular Weight: 222.244
• European Community (EC) Number: 254-709-7
• DSSTox Substance ID: DTXSID70192986
• Nikkaji Number: J261.482K
• Wikidata: Q83065682
• Mol file: 39936-67-9.mol

Synonyms:39936-67-9;1,3-Dihydro-1,3-bis(2-hydroxyethyl)-2H-benzimidazol-2-one;EINECS 254-709-7;Oprea1_324544;SCHEMBL3697820;DTXSID70192986;AKOS024363324

Chemical Property of 1,3-Dihydro-1,3-bis(2-hydroxyethyl)-2H-benzimidazol-2-one

Chemical Property:

• Vapor Pressure: 1.89E-07mmHg at 25°C
• Boiling Point: 409.7°Cat760mmHg
• Flash Point: 201.6°C
• PSA: 67.39000
• Density: 1.328g/cm³
• LogP: -0.21240
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N(C(=O)N2CCO)CCO

Technology Process of 1,3-Dihydro-1,3-bis(2-hydroxyethyl)-2H-benzimidazol-2-one

There total 3 articles about 1,3-Dihydro-1,3-bis(2-hydroxyethyl)-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:

oxirane (75-21-8,99932-75-9) + 1,3-benzimidazol-2-one (43135-91-7) → 1,3-bis(2-hydroxyethyl)-1H-benzo[d]imidazol-2(3H)-one (39936-67-9)

Guidance literature:

With lithium chloride; In N-methyl-acetamide; water;

Reference yield:

2-(1H-benzo[d]imidazol-1-yl)ethanol (6340-03-0) → 1,3-bis(2-hydroxyethyl)-1H-benzo[d]imidazol-2(3H)-one (39936-67-9)

Guidance literature:

2-(1H-benzo[d]imidazol-1-yl)ethanol; 2-haloethan-1-ol; In tetrahydrofuran; ethyl acetate; at 20 - 80 ℃;

With water; iodine; potassium carbonate; In methanol; at 40 ℃;

DOI:10.1039/c8ob00535d

Reference yield:

→ 1,3-bis(2-hydroxyethyl)-1H-benzo[d]imidazol-2(3H)-one (39936-67-9)

Guidance literature:

Benzimidazolon, Ethylenoxid/Ethanol,Py., Erwaermen in geschlossenem Gefaess;

upstream raw materials:

oxirane

1,3-benzimidazol-2-one

2-(1H-benzo[d]imidazol-1-yl)ethanol

Downstream raw materials:

4,5,6,7-tetrabromo-1,3-bis-(2-hydroxy-ethyl)-1,3-dihydro-benzoimidazol-2-one

Refernces

• 1、 -. "Isoindolinone pigments and process for their manufacture". . . Retrieved 2008/06/13.