N-Butylideneaniline

Base Information

• Chemical Name: N-Butylideneaniline
• CAS No.: 4275-07-4
• Molecular Formula: C10H13N
• Molecular Weight: 147.22
• Hs Code.: 2921420090
• European Community (EC) Number: 224-275-3
• NSC Number: 5173
• DSSTox Substance ID: DTXSID8063387
• Nikkaji Number: J87.306C
• Mol file: 4275-07-4.mol

Synonyms:N-Butylideneaniline;4275-07-4;N-(1-Butylidene)-N-phenylamine;Butyraldehyde aniline;N-phenylbutan-1-imine;Butylidene-aniline;Aniline, N-butylidene-;Butylidenimine, N-phenyl-;Benzenamine, N-butylidene-;Phenyl butyraldehyde aldimine;Butyraldehyde-aniline condensate;n-Butyraldehyde-aniline condensate;Butyraldehyde-butylidene-aniline condensate;Butylideneaniline;Butylidenanilin;SCHEMBL637259;SCHEMBL637260;DTXSID8063387;NSC5173;NSC 5173;NSC-5173;EINECS 224-275-3;MFCD00048788;AKOS006273520

Chemical Property of N-Butylideneaniline

Chemical Property:

• Vapor Pressure: 0.103mmHg at 25°C
• Boiling Point: 229.8°Cat760mmHg
• Flash Point: 84.3°C
• PSA: 12.36000
• Density: 0.87g/cm³
• LogP: 3.18900
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

N-(1-Butylidene)-N-phenylamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=NC1=CC=CC=C1

Technology Process of N-Butylideneaniline

There total 26 articles about N-Butylideneaniline 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: 99.0%

N-butylamine (109-73-9,85404-21-3) + aniline (62-53-3) → N-butylideneaniline (4275-07-4)

Guidance literature:

With palladium on activated charcoal; In tetrahydrofuran; at 170 ℃; for 1.5h; Reagent/catalyst; Microwave irradiation; Inert atmosphere;

DOI:10.1055/s-0033-1339667

Reference yield: 85.0%

nitrobenzene (98-95-3,26969-40-4) + butan-1-ol (71-36-3) → N-butylideneaniline (4275-07-4)

Guidance literature:

With potassium hydroxide; In neat (no solvent); at 100 ℃; for 12h; Green chemistry;

DOI:10.1039/d1ra02347k

Reference yield: 84.0%

aniline (62-53-3) + butan-1-ol (71-36-3) → N-butylideneaniline (4275-07-4)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 150 ℃; for 48h; Sealed tube;

DOI:10.1039/d1nj01654g

upstream raw materials:

butyraldehyde

aniline

nitrobenzene

N-phenyltriphenyliminophosphorane

Downstream raw materials:

N-(1-propyl-3-butenyl)aniline

2-bromobutanal

aniline

butylphenylcarbamic acid (3R)-1-azabicyclo[2.2.2]oct-3-yl ester

Refernces

• 1、 Li, Huaifeng,Lupp, Daniel,Das, Pradip K.,Yang, Li,Gon?alves, Théo P.,Huang, Mei-Hui,El Hajoui, Marwa,Liang, Lan-Chang,Huang, Kuo-Wei. "Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction". . p. 4071 - 4076. Retrieved 2021/04/12.
• 2、 Derakhshan, Seyed Ruhollah,Hosseini Moghadam, Hadis,Sansano, José Miguel,Sobhani, Sara. "Tandem imine formationviaauto-hydrogen transfer from alcohols to nitro compounds catalyzed by a nanomagnetically recyclable copper catalyst under solvent-free conditions". . p. 19121 - 19127. Retrieved 2021/06/03.