{2-(Methylsulfanyl)-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}methanol

Base Information

Chemical Name:{2-(Methylsulfanyl)-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}methanol
CAS No.:114772-20-2
Molecular Formula:C12H13N3O3S
Molecular Weight:279.32
Hs Code.:
DSSTox Substance ID:DTXSID10572869
Wikidata:Q82461375
Mol file:114772-20-2.mol

Synonyms:114772-20-2;SCHEMBL622;DTXSID10572869;{2-(Methylsulfanyl)-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}methanol

Suppliers and Price of {2-(Methylsulfanyl)-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}methanol

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of {2-(Methylsulfanyl)-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}methanol

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:279.06776246
Heavy Atom Count:19
Complexity:305

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=NC=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CO

Technology Process of {2-(Methylsulfanyl)-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}methanol

There total 3 articles about {2-(Methylsulfanyl)-1-[(4-nitrophenyl)methyl]-1H-imidazol-5-yl}methanol 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: 95.0%

: 114772-19-9
1-(4-Nitrobenzyl)-2-Mercapto-5-Hydroxymethylimidazole

: 114772-20-2
5-hydroxymethyl-2-methylthio-1-[(4-nitropehnyl)methyl]imidazole

Guidance literature:: With sodium hydroxide;
DOI:10.1002/jhet.5570370454

Reference yield: 71.5%

: 114772-19-9
1-(4-Nitrobenzyl)-2-Mercapto-5-Hydroxymethylimidazole

: 74-88-4
methyl iodide

: 114772-20-2
5-hydroxymethyl-2-methylthio-1-[(4-nitropehnyl)methyl]imidazole

Guidance literature:: In methanol; sodium hydroxide; for 2h;

Reference yield:

: 18600-42-5
4-nitrobenzylamine hydrochloride

: 114772-20-2
5-hydroxymethyl-2-methylthio-1-[(4-nitropehnyl)methyl]imidazole

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / glacial acetic acid / butan-1-ol / 120 h

2: 71.5 percent / aq. NaOH; methanol / 2 h

With acetic acid; In methanol; sodium hydroxide; butan-1-ol;