4-Bromo-6-methylbenzene-1,3-diamine

Base Information

• Chemical Name: 4-Bromo-6-methylbenzene-1,3-diamine
• CAS No.: 141922-21-6
• Molecular Formula: C7H9BrN2
• Molecular Weight: 201.066
• DSSTox Substance ID: DTXSID90573410
• Nikkaji Number: J1.628.312F
• Wikidata: Q82462130
• Mol file: 141922-21-6.mol

Synonyms:4-Bromo-6-methylbenzene-1,3-diamine;141922-21-6;1,3-Benzenediamine, 4-bromo-6-methyl-;SCHEMBL8121628;DTXSID90573410;4-bromo-6-methyl-1,3-benzenediamine;AKOS026673315;SB78087;BS-21456

Chemical Property of 4-Bromo-6-methylbenzene-1,3-diamine

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 199.99491
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)N)Br

Technology Process of 4-Bromo-6-methylbenzene-1,3-diamine

There total 11 articles about 4-Bromo-6-methylbenzene-1,3-diamine 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: 59.0%

2,4-diamino-3,5-dibromotoluene (29213-02-3) → 4-methylbenzene-1,3-diamine (95-80-7,71111-07-4) + 2,4-diamino-5-bromotoluene (141922-21-6)

Guidance literature:

With hydrogen bromide; acetic acid; sodium sulfite; for 0.166667h; Heating;

DOI:10.1021/ja0164374

Reference yield: 40.0%

2,4-diamino-3,5-dibromotoluene (29213-02-3) → 2,4-diamino-5-bromotoluene (141922-21-6) + 2,4-diamino-3-bromotoluene

Guidance literature:

With hydrogen bromide; sodium sulfite; In methanol; for 0.833333h; Heating;

DOI:10.1021/ja0164374

Reference yield:

4-bromo-2-methyl-5-nitroaniline (71785-48-3) → 4-methylbenzene-1,3-diamine (95-80-7,71111-07-4) + 2,4-diamino-5-bromotoluene (141922-21-6)

Guidance literature:

With 5%-palladium/activated carbon; hydrazine hydrate; In methanol; at 20 ℃; for 0.0833333h; Overall yield = 92 %;

DOI:10.1055/s-0033-1339025

upstream raw materials:

5-bromo-2,4-dinitro-toluene

4-Bromo-2-methylaniline

2,4-diamino-3,5-dibromotoluene

meta-bromotoluene