(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-phenylmethanone

Base Information

• Chemical Name: (2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-phenylmethanone
• CAS No.: 30156-22-0
• Molecular Formula: C11H12N2OS
• Molecular Weight: 220.29100
• DSSTox Substance ID: DTXSID60404308
• Nikkaji Number: J1.362.756H
• Wikidata: Q82208424
• Mol file: 30156-22-0.mol

Synonyms:30156-22-0;1H-Imidazole, 1-benzoyl-4,5-dihydro-2-(methylthio)-;F0630-0008;(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(phenyl)methanone;ChemDiv3_009359;(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-phenylmethanone;DTXSID60404308;HMS1499J09;AKOS024588401;CCG-310255;IDI1_027269;EU-0059754;SR-01000096199;SR-01000096199-1;BRD-K05548093-001-01-4

Chemical Property of (2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-phenylmethanone

Chemical Property:

• PSA: 57.97000
• LogP: 1.23490
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.06703418
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NCCN1C(=O)C2=CC=CC=C2

Technology Process of (2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-phenylmethanone

There total 3 articles about (2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-phenylmethanone 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: 90.0%

2-methylthio-2-imidazoline hydroiodide (5464-11-9) + benzoyl chloride (98-88-4) → N-benzoyl-2-methylthio-2-imidazoline (30156-22-0)

Guidance literature:

With triethylamine; at 0 - 20 ℃;

DOI:10.1016/S0040-4039(00)01102-3

Reference yield:

2-methylthioimidazoline (20112-79-2) + benzoyl chloride (98-88-4) → N-benzoyl-2-methylthio-2-imidazoline (30156-22-0)

Guidance literature:

With triethylamine; Yield given. Multistep reaction; methylene dichloride; 1) 10-15 deg C, 30 min, 2) r.t., overnight;

Reference yield:

→ N-benzoyl-2-methylthio-2-imidazoline (30156-22-0)

Guidance literature:

2-Methylthioimidazolin u. Benzoylchlorid;

upstream raw materials:

2-methylthioimidazoline

benzoyl chloride

2-methylthio-2-imidazoline hydroiodide

Downstream raw materials:

(5R*,6S*)-1-benzoyl-5-methyl-thio-6-methoxy-1-azapenam