N,N-diethyl-3,5-dinitrobenzamide

Base Information

• Chemical Name: N,N-diethyl-3,5-dinitrobenzamide
• CAS No.: 2782-38-9
• Molecular Formula: C11H13N3O5
• Molecular Weight: 267.241
• DSSTox Substance ID: DTXSID90394960
• Nikkaji Number: J1.855.865C
• Wikidata: Q82194681
• Mol file: 2782-38-9.mol

Synonyms:N,N-diethyl-3,5-dinitrobenzamide;2782-38-9;Oprea1_864285;SCHEMBL1522089;DTXSID90394960;STK057578;AKOS002945201

Chemical Property of N,N-diethyl-3,5-dinitrobenzamide

Chemical Property:

• PSA: 111.95000
• LogP: 3.03140
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 267.08552052
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

95% ^*data from raw suppliers

N,N-DIETHYL-3,5-DINITROBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,N-diethyl-3,5-dinitrobenzamide

There total 5 articles about N,N-diethyl-3,5-dinitrobenzamide 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: 98.0%

N,N-diethyl-3,5-dinitro-thiobenzamide → N,N-diethyl 3,5-dinitrobenzamide (2782-38-9)

Guidance literature:

With 2,2'-bipyridinium chlorochromate; In acetonitrile; for 0.25h; Further Variations:; Reagents; Temperatures; without microwave irradiation; solvent-free; Product distribution; microwave irradiation;

DOI:10.1007/s00706-003-0095-0

Reference yield: 83.0%

3,5-dinitrobenzoic acid (99-34-3) + diethylamine (109-89-7) → N,N-diethyl 3,5-dinitrobenzamide (2782-38-9)

Guidance literature:

With iodine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1002/ejoc.200901420

Reference yield: 52.0%

3,5-dinitrobenzoic acid (99-34-3) + triethylamine (121-44-8) → N,N-diethyl 3,5-dinitrobenzamide (2782-38-9)

Guidance literature:

With iodine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2015.12.009

upstream raw materials:

3,5-dinitrobenzoic acid

diethylamine

triethylamine

Refernces

• 1、 Nasr-Esfahani, Masoud,Montazerozohori, Morteza,Moghadam, Majid,Mohammadpoor-Baltork, Iraj,Moradi, Sareh. "Transformation of thioamide compounds to corresponding amides using 12-Tungstosilicic acid". experimental part. p. 261 - 266. Retrieved 2010/06/19.
• 2、 Nasr-Esfahani, Masoud,Moghadam, Majid,Mohammadpoor-Baltork, Iraj,Boostanifar, Mohammad Hasan. "A mild and convenient method for conversion of thioamides to their corresponding amides using acidified wet silica-supported permanganate under solvent-free conditions". experimental part. p. 141 - 146. Retrieved 2009/04/10.