N,N-dibutyl-3-methylaniline

Base Information

• Chemical Name: N,N-dibutyl-3-methylaniline
• CAS No.: 74878-72-1
• Molecular Formula: C15H25N
• Molecular Weight: 219.37
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID60571625
• Wikidata: Q82459780
• Mol file: 74878-72-1.mol

Synonyms:N,N-dibutyl-3-methylaniline;74878-72-1;N,N-DIBUTYL-M-TOLUIDINE;SCHEMBL5284253;DTXSID60571625;MUKJUKMSNRJVBD-UHFFFAOYSA-N

Chemical Property of N,N-dibutyl-3-methylaniline

Chemical Property:

• PSA: 3.24000
• LogP: 4.40160
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 219.198699802
• Heavy Atom Count: 16
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

N,N-DIBUTYL-M-TOLUIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)C1=CC=CC(=C1)C

Technology Process of N,N-dibutyl-3-methylaniline

There total 10 articles about N,N-dibutyl-3-methylaniline 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: 100.0%

propyl cyanide (109-74-0) + 1-methyl-3-nitrobenzene (99-08-1) → N-butyl-m-toluidine (60995-75-7) + N-butyl-N-(3-methyl-n-propyl)-m-toluidine (74878-72-1)

Guidance literature:

1-methyl-3-nitrobenzene; With ammonium formate; palladium on activated charcoal; In methanol; water; at 20 ℃;

propyl cyanide; In methanol; water;

DOI:10.1021/ol047580f

Reference yield: 100.0%

propyl cyanide (109-74-0) + 1-amino-3-methylbenzene (108-44-1) → N-butyl-m-toluidine (60995-75-7) + N-butyl-N-(3-methyl-n-propyl)-m-toluidine (74878-72-1)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; water; at 20 ℃; for 2.5h;

DOI:10.1021/ol047580f

Reference yield: 100.0%

1-iodo-butane (542-69-8) + 1-amino-3-methylbenzene (108-44-1) → N-butyl-N-(3-methyl-n-propyl)-m-toluidine (74878-72-1)

Guidance literature:

With sodium acetate; at 130 - 140 ℃; for 4h;

DOI:10.1111/j.1751-1097.1998.tb05208.x

upstream raw materials:

1-bromo-butane

1-amino-3-methylbenzene

m-toluidine hydrochloride

butan-1-ol

Downstream raw materials:

Bis<2-methyl-4-(dibutylamino)phenyl>squaraine