4-sec-Butylaniline

Base Information

• Chemical Name: 4-sec-Butylaniline
• CAS No.: 30273-11-1
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 2921420090
• European Community (EC) Number: 250-108-9
• DSSTox Substance ID: DTXSID00865535
• Nikkaji Number: J208.127J
• Mol file: 30273-11-1.mol

Synonyms:4-sec-Butylaniline;4-(sec-butyl)aniline;30273-11-1;Benzenamine, 4-(1-methylpropyl)-;(4-sec-butylphenyl)amine;4-butan-2-ylaniline;p-sec-Butylaniline;4-(butan-2-yl)aniline;4-Amino-sec-butylbenzene;EINECS 250-108-9;4-s-butyl-aniline;4-sec-butyl aniline;4-sec-butyl-aniline;4-sec-butylphenylamine;Aniline, p-sec-butyl-;4-sec-butyl-phenylamine;SCHEMBL112316;N-(4-sec-butyl-phenyl)-amine;DTXSID00865535;AM9881;MFCD00010223;STL481760;AKOS000120309;AKOS016039392;CS-W022027;GS-3260;SB47733;AC-11848;BP-10283;B1256;FT-0619463;EN300-20622;A876250

Chemical Property of 4-sec-Butylaniline

Chemical Property:

• Vapor Pressure: 0.0308mmHg at 25°C
• Melting Point: 1.08°C (estimate)
• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 244.2 °C at 760 mmHg
• PKA: 5.02±0.10(Predicted)
• Flash Point: 107.8 °C
• PSA: 26.02000
• Density: 0.942 g/cm³
• LogP: 3.36350
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 103

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-sec-Butylaniline >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=CC=C(C=C1)N
• Uses: 4-(1-Methylpropyl)aniline is a useful reagent in the preparation of [dimethyl(dioxo)purinyl]alkanecarboxamides as multifunctional TRPA1 antagonists and PDE4/7 inhibitors for the treatment of pains.

Technology Process of 4-sec-Butylaniline

There total 10 articles about 4-sec-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: 88.0%

1-(iso-propyl)-4-nitrobenzene (4237-40-5) → 4-sec-butylaniline (30273-11-1,181288-08-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/0223-5234(92)90188-7

Reference yield: 62.0%

2-butyl iodide (513-48-4,52152-71-3) + p-aminoiodobenzene (540-37-4) → 4-sec-butylaniline (30273-11-1,181288-08-4)

Guidance literature:

2-butyl iodide; With zinc; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

p-aminoiodobenzene; With 2,2':6,2''-terpyridine; nickel dichloride; In tetrahydrofuran; at 80 ℃; for 15h; Inert atmosphere;

DOI:10.1021/ol200098d

Reference yield:

p-nitro-sec-butylbenzene (92100-30-6) → 4-sec-butylaniline (30273-11-1,181288-08-4)

Guidance literature:

nickel; In ethanol; water;

upstream raw materials:

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

aniline

iso-butanol

1-(iso-propyl)-4-nitrobenzene

Downstream raw materials:

sec-Butylbenzene

4-(sec-butyl)-N,N-dimethylaniline

(+)-4-sec-butyl-aniline

(-)-4-sec-butyl-aniline

Refernces

• 1、 Hartmann,Batzl. "Synthesis and evaluation of 4-alkylanilines as mammary tumor inhibiting aromatase inhibitors". . p. 537 - 544. Retrieved 2007/10/02.