4-Butylaniline

Base Information

• Chemical Name: 4-Butylaniline
• CAS No.: 104-13-2
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 29214980
• European Community (EC) Number: 203-177-4
• DSSTox Substance ID: DTXSID8021856
• Nikkaji Number: J45.014F
• Wikidata: Q15726010
• ChEMBL ID: CHEMBL3181902
• Mol file: 104-13-2.mol

Synonyms:4-Butylaniline;104-13-2;4-n-Butylaniline;4-Butylbenzenamine;Benzenamine, 4-butyl-;p-Butylaniline;p-n-Butylaniline;p-Butylaminobenzene;p-Aminobutylbenzene;1-Amino-4-butylbenzene;ANILINE, 4-BUTYL-;Aniline, p-butyl-;BRN 1447268;EINECS 203-177-4;4-N-BUTYL-D9-ANILINE;4-N-BUTYLANILINE-D15;DTXSID8021856;MFCD00007925;(4-Butylphenyl)amine;1219794-78-1;1219794-89-4;4-12-00-02807 (Beilstein Handbook Reference);4-butylphenylamine;4-butylanilin;p-Butyl aniline;4-butyl aniline;p-normalbutylaniline;4-Butylbenzeneamine;4-n-butyl aniline;4-n-butyl-aniline;4-butyl-phenylamine;4-n-butylbenzenamine;4-(n-butyl)aniline;4-n-butyl benzenamine;4-amino-1-butylbenzene;4-Butylaniline, 97%;SCHEMBL111607;DTXCID601856;CHEMBL3181902;Tox21_303446;BBL012657;STK977867;AKOS000119870;FS-4059;NCGC00257260-01;AC-11849;CAS-104-13-2;LS-19633;B0272;CS-0008309;FT-0617940;EN300-19808;W-108824;Q15726010;F2190-0424;Z104475500

Chemical Property of 4-Butylaniline

Chemical Property:

• Appearance/Colour: Clear colorless mobile liquid with a ethereal odor.
• Vapor Pressure: 0.094mmHg at 25°C
• Melting Point: -14 °C
• Refractive Index: n20/D 1.535(lit.)
• Boiling Point: 261 °C at 760 mmHg
• PKA: 4.91±0.10(Predicted)
• Flash Point: 105.2 °C
• PSA: 26.02000
• Density: 0.947 g/cm³
• LogP: 3.19260
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 93

Purity/Quality:

99% ^*data from raw suppliers

4-Butylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25-36/37/38
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)N
• Uses: 4-Butylaniline is used in the fabrication of RP/ion-exchange, mixed-mode, monolithic materials for capillary LC.

Technology Process of 4-Butylaniline

There total 48 articles about 4-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: 99.0%

4-n-butylchlorobenzene (15499-27-1) → 4-Butylaniline (104-13-2)

Guidance literature:

With ammonium hydroxide; potassium phosphate; In dimethyl sulfoxide; at 80 ℃; for 48h; Temperature; Reagent/catalyst; UV-irradiation;

DOI:10.1007/s11426-020-9859-9

Reference yield: 95.0%

4-butyl-1-azidobenzene (85862-77-7) → 4-Butylaniline (104-13-2)

Guidance literature:

With hydrogenchloride; indium; In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield: 93.0%

1,2,3,4-tetrahydroisoquinoline (635-46-1) + 1-butyl-4-nitro-benzene (20651-75-6) → quinoline (91-22-5) + 4-Butylaniline (104-13-2)

Guidance literature:

With nickel-nitrogen-doped carbon framework; In water; at 145 ℃; for 18h; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1039/c9gc04358f

upstream raw materials:

1-butyl-4-nitro-benzene

N-(n-butyl)aniline

(E)-3-Ureido-but-2-enoic acid ethyl ester

N-butylanilinium chloride

Downstream raw materials:

1,4-bis-(4-butyl-anilino)-anthraquinone

4-butylthiophenol

p-bromobutylbenzene

4-butyl-3-nitroaniline

Refernces

• 1、 Li, Zhen,Yu, Hao,Bolm, Carsten. "Dibenzothiophene Sulfoximine as an NH3 Surrogate in the Synthesis of Primary Amines by Copper-Catalyzed C?X and C?H Bond Amination". . . Retrieved 2017.
• 2、 Giuseppone, Nicolas,Lehn, Jean-Marie. "Electric-field modulation of component exchange in constitutional dynamic liquid crystals". . p. 4619 - 4624. Retrieved 2006.
• 3、 Dilauro, Giuseppe,Azzollini, Claudia S.,Vitale, Paola,Salomone, Antonio,Perna, Filippo M.,Capriati, Vito. "Scalable Negishi Coupling between Organozinc Compounds and (Hetero)Aryl Bromides under Aerobic Conditions when using Bulk Water or Deep Eutectic Solvents with no Additional Ligands". supporting information. p. 10632 - 10636. Retrieved 2021/04/09.
• 4、 -. "Catalytic synthesis method of p-n-butylaniline". Paragraph 0024-0054. . Retrieved 2019/11/12.