1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-

Base Information

Chemical Name:1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-
CAS No.:110579-13-0
Molecular Formula:C₁₃H₁₄ClN₃O₂S
Molecular Weight:311.792
Hs Code.:
DSSTox Substance ID:DTXSID30149310
Wikidata:Q83015056

Synonyms:BRN 5604057;1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-;5-((2-Chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazole;110579-13-0;DTXSID30149310;LS-78282

Suppliers and Price of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-

Chemical Property:

Vapor Pressure:7.2E-09mmHg at 25°C
Boiling Point:478.9°Cat760mmHg
Flash Point:243.4°C
Density:1.36g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:311.0495256
Heavy Atom Count:20
Complexity:323

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC(=C(N1CC2=CC=CC=C2)SCCCl)[N+](=O)[O-]

Technology Process of 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)-

There total 2 articles about 1H-Imidazole, 5-((2-chloroethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)- 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: 78.0%

: 110579-08-3
2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol

: 110579-13-0
1-Benzyl-5-(2-chloro-ethylsulfanyl)-2-methyl-4-nitro-1H-imidazole

Guidance literature:: With thionyl chloride; for 5h; Heating;
DOI:10.1007/BF00758627

Reference yield:

: 77952-61-5
3-Benzyl-2-methyl-5-nitro-3H-imidazole-4-thiol; compound with ammonia

: 110579-13-0
1-Benzyl-5-(2-chloro-ethylsulfanyl)-2-methyl-4-nitro-1H-imidazole

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / methanol; H₂O / 6 h / Heating

2: 78 percent / thionyl chloride / 5 h / Heating

With thionyl chloride; In methanol; water;
DOI:10.1007/BF00758627