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
• General Description: **4-Butylaniline** is an aromatic amine used as a key reactant in the selective synthesis of non-symmetrical bis-ureas, where it contributes to the formation of mono-isocyanate/mono-urea intermediates. Its incorporation into bis-urea structures enhances self-assembly properties while maintaining solubility, making it valuable for designing materials with tailored rheological and mechanical characteristics. **Return:** Null

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

Selective synthesis of non-symmetrical bis-ureas and their self-assembly

10.1039/b316913h

The research aims to selectively synthesize non-symmetrical bis-ureas and investigate their self-assembly properties. The study focuses on creating bis-ureas with one aromatic and one aliphatic group, which combine the solubility of aliphatic bis-ureas and the strong association of aromatic ones. The key chemicals used include various aromatic amines (such as 4-n-butylaniline and 2,6-diethylaniline), and aliphatic amines (like 2-ethylhexylamine). 2,4-toluene diisocyanate (2,4-TDI) plays a pivotal role as the core reactant for synthesizing mono-isocyanate/mono-ureas and subsequently non-symmetrical bis-ureas. The selective synthesis involves reacting an aromatic amine with an excess of 2,4-TDI to obtain mono-isocyanate/mono-ureas, which are then reacted with chosen amines to form the desired non-symmetrical bis-ureas. The synthesized compounds were characterized using techniques like 1H NMR, FTIR spectroscopy, and viscosimetry. The results show that non-symmetrical bis-ureas exhibit stronger self-assembly and better solubility compared to symmetrical bis-ureas. Additionally, bis-ureas grafted onto polydimethylsiloxanes (PDMS) form physical cross-links, leading to rubbery solids with promising rheological properties. The study concludes that the selective synthesis of non-symmetrical bis-ureas opens up new possibilities for creating materials with unique self-assembly and mechanical properties.