N,N-Dibutylaniline

Base Information

• Chemical Name: N,N-Dibutylaniline
• CAS No.: 613-29-6
• Deprecated CAS: 594839-00-6
• Molecular Formula: C14H23N
• Molecular Weight: 205.343
• Hs Code.: 29214200
• European Community (EC) Number: 210-335-6
• UNII: B46ZZS7JCD
• DSSTox Substance ID: DTXSID8060618
• Nikkaji Number: J29.621J
• Wikidata: Q72465286
• ChEMBL ID: CHEMBL108561
• Mol file: 613-29-6.mol

Synonyms:N,N-Dibutylaniline;613-29-6;BENZENAMINE, N,N-DIBUTYL-;N,N-di-n-Butylaniline;Dibutylaniline;N,N-Dibutylbenzenamine;Aniline, N,N-dibutyl-;N-Phenyldibutylamine;Dibutyl-phenyl-amine;B46ZZS7JCD;EINECS 210-335-6;C14H23N;n,n-dibutyl aniline;MFCD00035799;Dibutylamine, N-phenyl-;UNII-B46ZZS7JCD;N,N-Dibutylaniline, 97%;BIDD:GT0668;N,N-Dibutyl-N-phenylamine #;SCHEMBL107013;1,4-bis(2-butylamino)benzene;CHEMBL108561;DTXSID8060618;ADAL1013109;STL280359;AKOS015891269;FS-4110;D0222;FT-0629448

Chemical Property of N,N-Dibutylaniline

Chemical Property:

• Appearance/Colour: clear yellow-brown to reddish-brown liquid
• Vapor Pressure: 0.00529mmHg at 25°C
• Melting Point: -32 °C
• Refractive Index: n20/D 1.518(lit.)
• Boiling Point: 274.8 °C at 760 mmHg
• PKA: 6.28±0.20(Predicted)
• Flash Point: 117.5 °C
• PSA: 3.24000
• Density: 0.906 g/cm³
• LogP: 4.09320
• Water Solubility.: Insoluble in water
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 205.183049738
• Heavy Atom Count: 15
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dibutylaniline >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CCCCN(CCCC)C1=CC=CC=C1
• Uses: N,?N-?Dibutylaniline is. a stain/dye. Dyes and metabolites.

Technology Process of N,N-Dibutylaniline

There total 79 articles about N,N-Dibutylaniline 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) + aniline (62-53-3) → N-(n-butyl)aniline (1126-78-9) + N-Dibutylaniline (613-29-6)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; water; at 20 ℃; for 8.6h;

DOI:10.1021/ol047580f

Reference yield: 99.0%

bromobenzene (108-86-1,52753-63-6) + dibutylamine (111-92-2) → N-Dibutylaniline (613-29-6)

Guidance literature:

With potassium tert-butylate; In 5,5-dimethyl-1,3-cyclohexadiene; at 130 ℃; for 7h; Reagent/catalyst; Glovebox;

DOI:10.1021/jo4011415

Reference yield: 96.0%

dibutylamine (111-92-2) + chlorobenzene (108-90-7) → N-Dibutylaniline (613-29-6)

Guidance literature:

With potassium tert-butylate; In 5,5-dimethyl-1,3-cyclohexadiene; at 130 ℃; for 12h;

DOI:10.1002/adsc.201100761

upstream raw materials:

1-bromo-butane

N-(n-butyl)aniline

n-Butyl chloride

bromobenzene

Downstream raw materials:

N,N'-dibutyl-N,N'-diphenyl-urea

N,N-dibutyl-4-(4-nitro-phenylazo)-aniline

N,N-dibutyl-4-(2,4-dinitro-phenylazo)-aniline

4-(dibutylamino)-4'-(methylsulfonyl)azobenzene

Refernces

• 1、 Sato, Yukichi,Inada, Shunsuke,Araki, Tatsunori,Tatewaki, Yoko,Okada, Shuji. "Synthesis and Properties of Chromophores with a Pyrroline-Type Acceptor for Electro-Optic Polymers". . p. 73 - 78. Retrieved 2014.
• 2、 Akiyama, Toshiki,Arai, Masayoshi,Arisawa, Mitsuhiro,Haneoka, Hitoshi,Harada, Kazuo,Murai, Kenichi,Murakami, Yosuke,Ohki, Yuuta,Ohta, Ryousuke,Sako, Makoto,Sirimangkalakitti, Natchanun,Suzuki, Takeyuki,Takahashi, Naoyuki,Takehara, Tsunayoshi,Yamada, Makito. "Product selective reaction controlled by the combination of palladium nanoparticles, continuous microwave irradiation, and a co-existing solid; ligand-free Buchwald-Hartwig aminationvs.aryne amination". supporting information. p. 8131 - 8137. Retrieved 2021/10/29.
• 3、 Singh, Bhagat,Ahmed, Jasimuddin,Biswas, Amit,Paira, Rupankar,Mandal, Swadhin K.. "Reduced Phenalenyl in Catalytic Dehalogenative Deuteration and Hydrodehalogenation of Aryl Halides". . p. 7242 - 7255. Retrieved 2021/05/29.