1-Bromo-4,5-dimethyl-2-nitrobenzene

Base Information

• Chemical Name: 1-Bromo-4,5-dimethyl-2-nitrobenzene
• CAS No.: 53938-24-2
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID10356540
• Wikidata: Q72454995
• Mol file: 53938-24-2.mol

Synonyms:1-bromo-4,5-dimethyl-2-nitrobenzene;53938-24-2;Benzene, 1-bromo-4,5-dimethyl-2-nitro-;4-Bromo-5-nitro-o-xylene;SCHEMBL864403;DTXSID10356540;2-Bromo-4,5-dimethylnitrobenzene;BXLRLFDGLUSGQD-UHFFFAOYSA-N;CK2349;MFCD01463597;AKOS000280786;AS-45889;CS-0062273

Chemical Property of 1-Bromo-4,5-dimethyl-2-nitrobenzene

Chemical Property:

• Melting Point: 58-60℃
• Boiling Point: 291℃
• Flash Point: 130℃
• PSA: 45.82000
• Density: 1.533
• LogP: 3.49730
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromo-4,5-dimethylnitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)Br)[N+](=O)[O-]

Technology Process of 1-Bromo-4,5-dimethyl-2-nitrobenzene

There total 5 articles about 1-Bromo-4,5-dimethyl-2-nitrobenzene 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: 89.4%

4-nitro-o-xylene (99-51-4,34527-23-6,156617-88-8) → 1-bromo-4,5-dimethyl-2-nitrobenzene (53938-24-2)

Guidance literature:

With hydrogen bromide; copper(I) bromide; sodium nitrite; In water; at -5 - 70 ℃; for 1h;

Reference yield: 87.0%

4,5-dimethyl-2-nitrobenzenamine (6972-71-0) → 1-bromo-4,5-dimethyl-2-nitrobenzene (53938-24-2)

Guidance literature:

4,5-dimethyl-2-nitrobenzenamine; With hydrogen bromide; at 70 ℃; for 0.5h;

With sodium nitrite; at -5 ℃; for 0.25h;

With hydrogen bromide; copper(I) bromide; at -5 - 70 ℃; for 0.25h;

DOI:10.1002/chem.200500497

Reference yield:

copper(II) sulfate.5 H2 O + 4,5-dimethyl-2-nitrobenzenamine (6972-71-0) → 1-bromo-4,5-dimethyl-2-nitrobenzene (53938-24-2)

Guidance literature:

With sodium bromide; hydrogen bromide; sodium sulfite; sodium nitrite; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; sulfuric acid; water; acetic acid;

upstream raw materials:

4,5-dimethyl-2-nitrobenzenamine

4-bromo-o-xylene

4-nitro-o-xylene

Downstream raw materials:

4,5-Dimethyl-2-phenoxy-nitrobenzol

5-(4,5-dimethyl-2-nitro-phenyl)-furan-2-carbaldehyde

N-[2-(benzyloxy)-3-phenylpropyl]-4,5-dimethyl-2-nitroaniline

N-(2-isopropoxy-3-phenylpropyl)-4,5-dimethyl-2-nitroaniline

Refernces

• 1、 -. "FLAVIN DERIVATIVES". Page/Page column 175-176. . Retrieved 2011/10/31.
• 2、 Langner, Martin,Remy, Pauline,Bolm, Carsten. "Highly modular synthesis of C1-symmetric aminosulfoximines and their use as ligands in copper-catalyzed asymmetric Mukaiyama-Aldol reactions". . p. 6254 - 6265. Retrieved 2007/10/03.