4-bromo-N,N-dimethyl-3-nitroaniline

Base Information

• Chemical Name: 4-bromo-N,N-dimethyl-3-nitroaniline
• CAS No.: 70076-04-9
• Molecular Formula: C8H9BrN2O2
• Molecular Weight: 245.076
• Hs Code.: 2921430090
• European Community (EC) Number: 657-140-6
• DSSTox Substance ID: DTXSID50352167
• Nikkaji Number: J2.314.231G
• Wikidata: Q82129178
• Mol file: 70076-04-9.mol

Synonyms:4-bromo-N,N-dimethyl-3-nitroaniline;70076-04-9;(4-bromo-3-nitrophenyl)dimethylamine;(4-bromo-3-nitro-phenyl)-dimethyl-amine;SCHEMBL12643249;DTXSID50352167;MFCD02062996;4-bromo-3-nitro-N,N-dimethylaniline;AKOS015998171;DS-5903;CS-0186969;C76231;A914654;N-(4-BROMO-3-NITROPHENYL)-N,N-DIMETHYLAMINE

Chemical Property of 4-bromo-N,N-dimethyl-3-nitroaniline

Chemical Property:

• PSA: 49.06000
• LogP: 2.94650
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 243.98474
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

N-(4-BROMO-3-NITROPHENYL)-N,N-DIMETHYLAMINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-bromo-N,N-dimethyl-3-nitroaniline

There total 11 articles about 4-bromo-N,N-dimethyl-3-nitroaniline 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: 96.0%

→ 4-bromo-N,N-dimethyl-3-nitroaniline (70076-04-9)

Guidance literature:

Reference yield: 94.0%

4-bromo-N,N-dimethylaniline (586-77-6) → 4-bromo-N,N-dimethyl-3-nitroaniline (70076-04-9)

Guidance literature:

4-bromo-N,N-dimethylaniline; With tert-butyl methyl ether; nitric acid; In tetrahydrofuran; at 0 ℃;

With sulfuric acid; In dichloromethane; at 0 ℃; for 1h; Further stages.;

DOI:10.1016/j.tetlet.2007.10.027

Reference yield: 51.0%

4-bromo-3-nitroaniline (53324-38-2) + methyl iodide (74-88-4) → 4-bromo-N,N-dimethyl-3-nitroaniline (70076-04-9)

Guidance literature:

4-bromo-3-nitroaniline; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

methyl iodide; In tetrahydrofuran; mineral oil; at 20 - 24 ℃; for 16h;

upstream raw materials:

N,N-dimethyl-3-nitroaniline

4-bromo-N,N-dimethylaniline

carbon disulfide

bromine

Downstream raw materials:

4-bromo-N,N-dimethyl-2,5-dinitro-aniline

4-bromo-N-methyl-3-nitro-N-nitroso-aniline

4-bromo-N-methyl-2,3,6,N-tetranitro-aniline

4-bromo-N¹,N¹-dimethylbenzene-1,3-diamine

Refernces

• 1、 Fischer, Christian,Schneider, Lukas,Sparr, Christof,Zilate, Bouthayna. "Scalable Synthesis of Acridinium Catalysts for Photoredox Deuterations". . p. 4359 - 4365. Retrieved 2019/11/21.
• 2、 Zhang, Pingsheng,Cedilote, Miall,Cleary, Thomas P.,Pierce, Michael E.. "Mono-nitration of aromatic compounds via their nitric acid salts". . p. 8659 - 8664. Retrieved 2008/03/30.