2-Bromo-4-butylaniline

Base Information

• Chemical Name: 2-Bromo-4-butylaniline
• CAS No.: 51605-98-2
• Molecular Formula: C₁₀H₁₄BrN
• Molecular Weight: 228.132
• DSSTox Substance ID: DTXSID701311211
• Nikkaji Number: J2.644.670H
• Mol file: 51605-98-2.mol

Synonyms:2-bromo-4-butylaniline;51605-98-2;2-Bromo-4-n-butylaniline;2-Bromo-4-butylbenzenamine;2-bromo-4-(n-butyl)aniline;SCHEMBL841230;WJKALLIVRCQVOH-UHFFFAOYSA-N;DTXSID701311211;BCA60598;STL484267;AKOS017560848

Chemical Property of 2-Bromo-4-butylaniline

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 227.03096
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

2-Bromo-4-Butylaniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)N)Br

Technology Process of 2-Bromo-4-butylaniline

There total 2 articles about 2-Bromo-4-butylaniline 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: 88.0%

4-Butylaniline (104-13-2) → 2-bromo-4-butylaniline (51605-98-2)

Guidance literature:

With sodium perborate; acetic acid; potassium bromide; sodium vanadate; at 20 ℃; for 4h;

DOI:10.1021/ol060539n

Reference yield:

4-Butylaniline (104-13-2) → 2,6-dibromo-4-butylaniline (10546-66-4) + 2-bromo-4-butylaniline (51605-98-2)

Guidance literature:

With oxygen; copper diacetate; acetic acid; lithium bromide; In dodecane; at 60 ℃; for 3.5h; under 760.051 Torr; chemoselective reaction;

DOI:10.1002/adsc.200800223

Reference yield: 84.0%

2-bromo-4-butylaniline (51605-98-2) → 2-bromo-4-butyl-1-iodobenzene (1160574-93-5)

Guidance literature:

2-bromo-4-butylaniline; With sulfuric acid; sodium nitrite; In water; at 0 - 5 ℃; Inert atmosphere;

With potassium iodide; In water; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja906566r

upstream raw materials:

4-Butylaniline

Downstream raw materials:

1-bromo-3-n-butylbenzene

4,6-dibromo-N,N'-bis(2-bromo-4-butylphenyl)benzene-1,3-diamine

2-bromo-4-butylbenzenethiol

3-n-butylbenzoic acid

Refernces

• 1、 Menini, Luciano,Da Cruz Santos, Joyce C.,Gusevskaya, Elena V.. "Copper-catalyzed oxybromination and oxychlorination of primary aromatic amines using LiBr or LiCl and molecular oxygen". experimental part. p. 2052 - 2058. Retrieved 2009/08/07.