(2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone

Base Information

• Chemical Name: (2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone
• CAS No.: 91874-85-0
• Molecular Formula: C12H12N2O
• Molecular Weight: 200.24
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID10577819
• Wikidata: Q82467927
• Mol file: 91874-85-0.mol

Synonyms:(2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone;91874-85-0;4-(2',3'-Dimethylbenzoyl)imidazole;(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methanone;MFCD21332884;Medetomidine Impurity 6;(2,3-Dimethylphenyl)(4-imidazolyl)methanone;(2,3-Dimethylphenyl)(1H-imidazol-5-yl)methanone;SCHEMBL11049910;SCHEMBL21401257;DTXSID10577819;BCP30915;AKOS016013473;CS-W007117;DS-5722;SY108476;AM20080951;O10031;(2,3-Dimethylphenyl)-1H-imidazol-5-ylmethanone;A860206;J-500572;Methanone, (2,3-dimethylphenyl)-1H-imidazol-5-yl-;(2 pound not3-Dimethylphenyl)(1H-imidazol-4-yl)methanone;Methanone, (2,3-dimethylphenyl)-1H-imidazol-4-yl- chemistry;(2,3-Dimethylphenyl)-1H-imidazol-4-ylmethanone

Chemical Property of (2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone

Chemical Property:

• Boiling Point: 412.7±33.0 °C(Predicted)
• PKA: 10.30±0.10(Predicted)
• PSA: 45.75000
• Density: 1.166±0.06 g/cm3(Predicted)
• LogP: 2.25750
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.094963011
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

(2,3-Dimethylphenyl)-1H-imidazol-5-ylmethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(=O)C2=CN=CN2)C
• Uses: (2,3-Dimethylphenyl)-1H-imidazol-5-ylmethanone was used for tandem addition reduction to synthesize 4(5)?-?[1-?(2,?3-?dimethylphenyl)?-?1H-?imidazole, the α2-?adrenergic agonist medetomidine.

Technology Process of (2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone

There total 2 articles about (2,3-Dimethylphenyl)(1H-imidazol-4-yl)methanone 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%

1-N,N-Dimethylsulfamoyl-2-(tert-butyldimethylsilyl)-5-(2,3-dimethylbenzoyl)imidazole (138867-04-6) → (2,3-dimethylphenyl)(1H-imidazol-4-yl)methanone (91874-85-0)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1055/s-1991-26637

Reference yield:

2,3-dimethylbenzoyl chloride (21900-46-9) → (2,3-dimethylphenyl)(1H-imidazol-4-yl)methanone (91874-85-0)

Guidance literature:

Multi-step reaction with 2 steps

2: 99 percent / 1.5N HCl / 1 h / Heating

With hydrogenchloride;

DOI:10.1055/s-1991-26637

Reference yield:

methyllithium (917-54-4) + (2,3-dimethylphenyl)(1H-imidazol-4-yl)methanone (91874-85-0) → (+/-)-4(5)-<1-(2,3-Dimethylphenyl)ethyl-1H-imidazole> (86347-14-0,119717-21-4)

Guidance literature:

With ammonia; lithium; ammonium chloride; Yield given. Multistep reaction; 1) THF, Et₂O, DME, a) 0.25 h, -78 deg C, b) 3 h, r.t., 2) 15 min, -78 deg C;

DOI:10.1055/s-1991-26637

upstream raw materials:

1-N,N-Dimethylsulfamoyl-2-(tert-butyldimethylsilyl)-5-(2,3-dimethylbenzoyl)imidazole

2,3-dimethylbenzoyl chloride

Downstream raw materials:

(+/-)-4(5)-<1-(2,3-Dimethylphenyl)ethyl-1H-imidazole>