m-Butylaniline

Base Information

• Chemical Name: m-Butylaniline
• CAS No.: 5369-17-5
• Molecular Formula: C10H15 N
• Molecular Weight: 149.236
• Hs Code.: 2921420090
• European Community (EC) Number: 226-360-0
• UNII: 87P8ZH7TSK
• DSSTox Substance ID: DTXSID70201941
• Nikkaji Number: J153.242A
• Wikidata: Q83075178
• Mol file: 5369-17-5.mol

Synonyms:m-Butylaniline;3-butylaniline;5369-17-5;Benzenamine, 3-butyl-;3-n-Butylaniline;3-butylbenzenamine;EINECS 226-360-0;m-Aminobutylbenzene;Aniline, m-butyl-;m-(n-butyl)-aniline;3-(n-butyl)-phenylamine;87P8ZH7TSK;SCHEMBL957394;SCHEMBL3038687;DTXSID70201941;AKOS006345798;BS-50556;FT-0715439;F74135

Chemical Property of m-Butylaniline

Chemical Property:

• Vapor Pressure: 0.0192mmHg at 25°C
• Boiling Point: 252.6°Cat760mmHg
• Flash Point: 107°C
• PSA: 26.02000
• Density: 0.947g/cm³
• LogP: 3.19260
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

3-n-Butylaniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of m-Butylaniline

There total 19 articles about m-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: 96.0%

β-ethyl-3-nitrostyrene (119273-80-2) → m-(n-butyl)-aniline (5369-17-5)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; ethyl acetate; for 5h;

Reference yield: 95.0%

1-butyl-3-nitro-benzene (20651-76-7) → m-(n-butyl)-aniline (5369-17-5)

Guidance literature:

1-butyl-3-nitro-benzene; With tin(II) chloride dihdyrate; In ethanol; at 60 ℃; Inert atmosphere;

With sodium tetrahydroborate; In ethanol; at 60 ℃; Inert atmosphere; Reflux;

DOI:10.1002/jhet.2399

Reference yield: 95.0%

1-(buta-1,3-dien-1-yl)-3-nitrobenzene (103264-00-2) → m-(n-butyl)-aniline (5369-17-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 16h;

DOI:10.1002/cmdc.202100432

upstream raw materials:

1-(3-nitrophenyl)-1-butanone

1-butyl-3-nitro-benzene

1-(3-aminophenyl)butan-1-one

(2R)-2-{[(1R)-1-(3-nitrophenyl)-3-butenyl]amino}-2-phenylethanamide

Downstream raw materials:

C₁₀H₁₆N₂*ClH

2-((3-butylphenyl)amino)benzoic acid

3-(n-butyl)fluorobenzene

6-(3-Butyl-phenylamino)-1H-pyrimidine-2,4-dione

Refernces

• 1、 Koseoglu, Ahmet,Gul, Turan,Acar, Ali Ersin. "A Systematic Study on the Synthesis of n-Butyl Substituted 8-Aminoquinolines". . p. 263 - 270. Retrieved 2016/02/10.
• 2、 Dalmolen, Jan,Van Der Sluis, Marcel,Nieuwenhuijzen, Jose W.,Meetsma, Auke,De Lange, Ben,Kaptein, Bernard,Kellogg, Richard M.,Broxterman, Quirinus B.. "Synthesis of enantiopure 1-aryl-1-butylamines and 1-aryl-3-butenylamines by diastereoselective addition of allylzinc bromide to imines derived from (R)-phenylglycine amide". . p. 1544 - 1557. Retrieved 2007/10/03.