N-tert-butyl-2,4,6-trinitrobenzamide

Base Information

Chemical Name:N-tert-butyl-2,4,6-trinitrobenzamide
CAS No.:3099-54-5
Molecular Formula:C₁₁H₁₂N₄O₇
Molecular Weight:312.239
Hs Code.:
DSSTox Substance ID:DTXSID901253570
Nikkaji Number:J1.448.133H

Synonyms:3099-54-5;DTXSID901253570;N-(1,1-Dimethylethyl)-2,4,6-trinitrobenzamide

Suppliers and Price of N-tert-butyl-2,4,6-trinitrobenzamide

Supply Marketing:

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

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Chemical Property of N-tert-butyl-2,4,6-trinitrobenzamide

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:312.07059873
Heavy Atom Count:22
Complexity:461

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)NC(=O)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of N-tert-butyl-2,4,6-trinitrobenzamide

There total 3 articles about N-tert-butyl-2,4,6-trinitrobenzamide 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: 56.0%

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

: 75-64-9
tert-butylamine

: 3099-54-5
N-tert-butyl-2,4,6-trinitrobenzamide

Guidance literature:: In benzene; at 20 ℃; for 6h;
DOI:10.1021/jo000479d

Reference yield:

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

: 3099-54-5
N-tert-butyl-2,4,6-trinitrobenzamide

Guidance literature:: Multi-step reaction with 2 steps

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

2: 56 percent / benzene / 6 h / 20 °C

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