N-butyl-2,6-dimethylaniline

Base Information

• Chemical Name: N-butyl-2,6-dimethylaniline
• CAS No.: 41115-22-4
• Molecular Formula: C12H19N
• Molecular Weight: 177.29
• UNII: UCP7PQE443
• Nikkaji Number: J2.425.729K
• Wikidata: Q107917665
• Mol file: 41115-22-4.mol

Synonyms:N-butyl-2,6-dimethylaniline;UCP7PQE443;Benzenamine, N-butyl-2,6-dimethyl-;41115-22-4;UNII-UCP7PQE443;SCHEMBL7288546;UMHATKUMNAUAPM-UHFFFAOYSA-N;AKOS005296129

Chemical Property of N-butyl-2,6-dimethylaniline

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 177.151749610
• Heavy Atom Count: 13
• Complexity: 123

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCNC1=C(C=CC=C1C)C

Technology Process of N-butyl-2,6-dimethylaniline

There total 5 articles about N-butyl-2,6-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: 97.0%

2,6-dimethyl-1-chlorobenzene (6781-98-2) + N-butylamine (109-73-9,85404-21-3) → N-butyl-2,6-dimethylphenylamine (41115-22-4)

Guidance literature:

With potassium tert-butylate; bis[1-methylnaphthylpalladium(II) bromide]; ruphos; In tetrahydrofuran; at 20 ℃; for 12h; Sealed tube;

DOI:10.1002/anie.202110450

Reference yield: 78.0%

C6H3(CH3)2NHC4H9FeC5H5(1+)*PF6(1-) → N-butyl-2,6-dimethylphenylamine (41115-22-4)

Guidance literature:

Sample heated for 1.0 h at 200-220°C and 1 torr.; Sublimation; chromy. (F-20 alumina, CCl4/CHCl3).;

DOI:10.1016/0022-328X(88)80343-7

Reference yield: 75.0%

tri-n-butylindium (15676-66-1) + 2,6-dimethylbenzenediazonium o-benzenedisulfonimide → o-benzenedisulfonimide (4482-01-3) + N-butyl-2,6-dimethylphenylamine (41115-22-4)

Guidance literature:

In tetrahydrofuran; at 20 - 25 ℃;

DOI:10.1002/ejoc.200700931

upstream raw materials:

1-bromo-butane

2,6-dimethylaniline

N-butylamine

2,6-dimethyl-1-chlorobenzene

Downstream raw materials:

chloro-acetic acid-(N-butyl-2,6-dimethyl-anilide)

N-Butyl-N-(2,6-dimethylphenyl)carbamoylchlorid

(2-hydroxy-ethoxy)-acetic acid-(N-butyl-2,6-dimethyl-anilide)

3-[1-Amino-1-methylamino-meth-(Z)-ylidene]-1-butyl-1-(2,6-dimethyl-phenyl)-urea

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