5,6-Dimethyl-1H-benzo[d]imidazol-2(3H)-one

Base Information

• Chemical Name: 5,6-Dimethyl-1H-benzo[d]imidazol-2(3H)-one
• CAS No.: 2033-30-9
• Molecular Formula: C9H10N2O
• Molecular Weight: 162.191
• Hs Code.: 2933990090
• European Community (EC) Number: 217-993-3
• NSC Number: 163165
• DSSTox Substance ID: DTXSID10174226
• Nikkaji Number: J298.649C
• Wikidata: Q83044290
• Mol file: 2033-30-9.mol

Synonyms:2033-30-9;5,6-Dimethyl-1H-benzo[d]imidazol-2(3H)-one;5,6-DIMETHYL-2-BENZIMIDAZOLINONE;5,6-dimethyl-1,3-dihydrobenzimidazol-2-one;1,3-Dihydro-5,6-dimethyl-2H-benzimidazol-2-one;2H-Benzimidazol-2-one, 1,3-dihydro-5,6-dimethyl-;EINECS 217-993-3;5,6-Methyl-1,3-dihydro-2H-benzimidazol-2-one;5,6-dimethylbenzimidazolin-2-one;NSC163165;2H-Benzimidazol-2-one,1,3-dihydro-5,6-dimethyl-;SCHEMBL762964;DTXSID10174226;CAA03330;MFCD00051725;AKOS009157801;AKOS016001670;CS-W007013;NSC 163165;NSC-163165;TS-01456;FT-0619832;2,3-Dihydro-5,6-dimethyl-1H-benzimidazol-2-one;A814460;5,6-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

Chemical Property of 5,6-Dimethyl-1H-benzo[d]imidazol-2(3H)-one

Chemical Property:

• Vapor Pressure: 1.23mmHg at 25°C
• Melting Point: >300 °C
• Refractive Index: 1.567
• Boiling Point: 174 °C at 760 mmHg
• PKA: 11.97±0.30(Predicted)
• Flash Point: 60.7 °C
• PSA: 48.65000
• Density: 1.161 g/cm³
• LogP: 1.47300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

98%min ^*data from raw suppliers

5,6-Methyl-1,3-dihydro-2H-benzimidazol-2-one 95% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)NC(=O)N2
• Uses: 5,6-Dimethyl-2-benzimidazolinone is a building block for the synthesis of various pharmaceutically and biologically active compounds.

Technology Process of 5,6-Dimethyl-1H-benzo[d]imidazol-2(3H)-one

There total 13 articles about 5,6-Dimethyl-1H-benzo[d]imidazol-2(3H)-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: 99.0%

carbon dioxide (124-38-9,18923-20-1) + 4,5-dimethyl-1,2-phenylenediamine (3171-45-7) → NSC 163165 (2033-30-9)

Guidance literature:

In tetrahydrofuran; water; at 20 ℃; for 9h; under 7500.75 Torr; UV-irradiation;

DOI:10.1007/s10562-020-03410-w

Reference yield: 95.0%

5-(4-chlorophenyl)-3H-[1,3,4]oxadiazol-2-one (1711-61-1) + 4,5-dimethyl-1,2-phenylenediamine (3171-45-7) → NSC 163165 (2033-30-9)

Guidance literature:

In N,N-dimethyl acetamide; for 0.133333h; Irradiation;

Reference yield: 94.0%

4,5-dimethyl-1,2-phenylenediamine (3171-45-7) + urea (57-13-6) → NSC 163165 (2033-30-9)

Guidance literature:

In N,N-dimethyl acetamide; diethylene glycol; for 0.0583333h; Irradiation;

upstream raw materials:

4,5-dimethyl-1,2-phenylenediamine

urea

5,6-dimethyl-1H-benzo[d]imida-zole

4-hydroxy-6-methyl-2H-pyran-2-one

Downstream raw materials:

2-chloro-5,6-dimethyl-1H-benzo[d]imidazole

2-chloro-5,6-dimethyl-1-(phenylmethyl)-1H-benzimidazole

2-chloro-1,5,6-trimethyl-1H-benzo[d]imidazole

Refernces

• 1、 Liu, Can,Sadeghzadeh, Seyed Mohsen. "CdSnO3/SnD NPs as a Nanocatalyst for Carbonylation of o-Phenylenediamine with CO2". . p. 2807 - 2815. Retrieved 2021/02/05.
• 2、 Zahedifar, Mahboobeh,Es-Haghi, Ali,Zhiani, Rahele,Sadeghzadeh, Seyed Mohsen. "Synthesis of benzimidazolones by immobilized gold nanoparticles on chitosan extracted from shrimp shells supported on fibrous phosphosilicate". . p. 6494 - 6501. Retrieved 2019/03/14.