4-(3-Methylbutyl)aniline

Base Information

• Chemical Name: 4-(3-Methylbutyl)aniline
• CAS No.: 104177-72-2
• Molecular Formula: C₁₁H₁₇N
• Molecular Weight: 163.263
• European Community (EC) Number: 828-201-6
• Nikkaji Number: J506.380I
• Mol file: 104177-72-2.mol

Synonyms:4-(3-methylbutyl)aniline;104177-72-2;Mono-Isoamylanilin;SCHEMBL2408286;AKOS009483782;CS-0252186;EN300-59300;Z424736042

Chemical Property of 4-(3-Methylbutyl)aniline

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCC1=CC=C(C=C1)N

Technology Process of 4-(3-Methylbutyl)aniline

There total 9 articles about 4-(3-Methylbutyl)aniline 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:

i-Amyl alcohol (123-51-3) + aniline (62-53-3) → 4-isopentylaniline (104177-72-2)

Guidance literature:

With zinc(II) chloride; at 270 ℃;

Reference yield:

N-isopentylaniline (2051-84-5) → 4-isopentylaniline (104177-72-2)

Guidance literature:

With cadmium(II) chloride; at 212 ℃;

DOI:10.1039/jr9320002396

Reference yield:

N-isopentylaniline (2051-84-5) → 4-isopentylaniline (104177-72-2) + aniline (62-53-3)

Guidance literature:

at 280 ℃;

DOI:10.1039/jr9320002396

upstream raw materials:

N-isopentylaniline

1-isopentyl-4-nitro-benzene

i-Amyl alcohol

aniline

Downstream raw materials:

acetic acid-(4-isopentyl-anilide)

1-bromo-4-isopentylbenzene

4-isopentyl-benzoic acid

benzoic acid-(4-isopentyl-anilide)