Benzamide, N-methyl-2,4-dinitro-6-[(phenylmethyl)thio]-

Base Information

Chemical Name:Benzamide, N-methyl-2,4-dinitro-6-[(phenylmethyl)thio]-
CAS No.:321372-37-6
Molecular Formula:C₁₅H₁₃N₃O₅S
Molecular Weight:347.351
Hs Code.:
DSSTox Substance ID:DTXSID60442907
Nikkaji Number:J1.448.156G
Mol file:321372-37-6.mol

Synonyms:321372-37-6;Benzamide, N-methyl-2,4-dinitro-6-[(phenylmethyl)thio]-;DTXSID60442907;N-Methyl-2,4-dinitro-6-(benzylthio)benzamide

Suppliers and Price of Benzamide, N-methyl-2,4-dinitro-6-[(phenylmethyl)thio]-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of Benzamide, N-methyl-2,4-dinitro-6-[(phenylmethyl)thio]-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:347.05759170
Heavy Atom Count:24
Complexity:473

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=O)C1=C(C=C(C=C1SCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Benzamide, N-methyl-2,4-dinitro-6-[(phenylmethyl)thio]-

There total 3 articles about Benzamide, N-methyl-2,4-dinitro-6-[(phenylmethyl)thio]- 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:

: 321596-06-9
N-methyl-2,4,6-trinitrobenzamide

: 100-53-8
phenylmethanethiol

: 321372-37-6
2-benzylthio-4,6-dinitro-N-methylbenzamide

: 4-benzylthio-2,6-dinitro-N-methylbenzamide

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 15 ℃; for 4h; Title compound not separated from byproducts.;
DOI:10.1021/jo000479d

Reference yield:

: 129-66-8
2,4,6-trinitrobenzoic acid

: 321372-37-6
2-benzylthio-4,6-dinitro-N-methylbenzamide

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / SOCl₂ / dimethylformamide; 1,2-dichloro-ethane / 3 h / 20 - 70 °C

2: 76 percent / H₂O; benzene / 2 h / 5 - 6 °C

3: K₂CO₃ / dimethylformamide / 4 h / 15 °C

With thionyl chloride; potassium carbonate; In water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jo000479d

Reference yield:

: 7500-86-9
2,4,6-trinitrobenzoyl chloride

: 321372-37-6
2-benzylthio-4,6-dinitro-N-methylbenzamide

Guidance literature:: Multi-step reaction with 2 steps

1: 76 percent / H₂O; benzene / 2 h / 5 - 6 °C

2: K₂CO₃ / dimethylformamide / 4 h / 15 °C

With potassium carbonate; In water; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jo000479d