2-Bromo-4,5-dimethylaniline

Base Information

• Chemical Name: 2-Bromo-4,5-dimethylaniline
• CAS No.: 22364-29-0
• Molecular Formula: C8H10BrN
• Molecular Weight: 200.078
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID60400345
• Wikidata: Q82203271
• Mol file: 22364-29-0.mol

Synonyms:2-bromo-4,5-dimethylaniline;22364-29-0;2-Bromo-4,5-dimethyl aniline;2-Bromo-4,5-dimethyl-phenylamine;Benzenamine, 2-bromo-4,5-dimethyl-;2-broMo-4,5-diMethylbenzenaMine;SCHEMBL4508097;DTXSID60400345;AFGDDVNXAPMUAQ-UHFFFAOYSA-N;2-Bromo-4,5-dimethyl-benzenamine;AMY28126;XAA36429;BBL100000;MFCD00031416;STL510763;AKOS000276645;SB35572;AS-19852;CS-0061242;2-Bromo-4,5-dimethyl-phenylamine, AldrichCPR;I11340;AU-059/43508396;2-Bromo-4,5-dimethyl-benzenamine hydrochloride 95+%

Chemical Property of 2-Bromo-4,5-dimethylaniline

Chemical Property:

• Melting Point: 84.5 °C
• Boiling Point: 270.6±35.0 °C(Predicted)
• PKA: 3.09±0.10(Predicted)
• PSA: 26.02000
• Density: 1.424±0.06 g/cm3(Predicted)
• LogP: 3.22930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 198.99966
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-4,5-dimethylanilineHydrochloride ^*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

Technology Process of 2-Bromo-4,5-dimethylaniline

There total 5 articles about 2-Bromo-4,5-dimethylaniline 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: 95.0%

1-bromo-4,5-dimethyl-2-nitrobenzene (53938-24-2) → 2-bromo-4,5-dimethylaniline (22364-29-0)

Guidance literature:

1-bromo-4,5-dimethyl-2-nitrobenzene; With sodium dithionite; In 2-methoxy-ethanol; water; at 100 ℃; for 2.5h;

With hydrogenchloride; In 2-methoxy-ethanol; water; for 0.416667h; Heating / reflux;

With sodium carbonate; In 2-methoxy-ethanol; water; at 20 ℃; pH=~ 7 - ~ 8;

Reference yield: 82.0%

4-amino-o-xylene (95-64-7) → 2-bromo-4,5-dimethylaniline (22364-29-0)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 0 ℃; for 0.5h;

DOI:10.3390/molecules201019449

Reference yield:

N-(2-bromo-4,5-dimethylphenyl)acetamide (22364-28-9) → 2-bromo-4,5-dimethylaniline (22364-29-0)

Guidance literature:

With sulfuric acid;

DOI:10.1039/jr9300002510

upstream raw materials:

N-(2-bromo-4,5-dimethylphenyl)acetamide

N-(3,4-dimethylphenyl)acetamide

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

4-amino-o-xylene

Downstream raw materials:

1-bromo-2-fluoro-4,5-dimethylbenzene

1-bromo-2-chloro-4,5-dimethylbenzene

4-bromo-5-chlorophthalic acid