4-Pentylaniline

Base Information

• Chemical Name: 4-Pentylaniline
• CAS No.: 33228-44-3
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 29214990
• European Community (EC) Number: 622-989-3
• UNII: 8ROJ0G9HIU
• DSSTox Substance ID: DTXSID0040707
• Nikkaji Number: J153.245F
• Wikidata: Q27270935
• ChEMBL ID: CHEMBL1864389
• Mol file: 33228-44-3.mol

Synonyms:4-Pentylaniline;33228-44-3;Benzenamine, 4-pentyl-;4-Amylaniline;p-Amylaniline;p-Pentylaniline;4-n-pentylaniline;p-n-Pentylaniline;UNII-8ROJ0G9HIU;8ROJ0G9HIU;DTXSID0040707;p-n-Amylaniline;4-pentylbenzenamine;4-Pentylaniline, 98%;ANILINE, P-PENTYL-;SCHEMBL109256;CHEMBL1864389;DTXCID8020707;Tox21_301699;MFCD00007926;AKOS000121468;SB75836;NCGC00164092-01;NCGC00164092-02;NCGC00255675-01;AS-56687;CAS-33228-44-3;J153.245F;A0938;CS-0159210;FT-0639087;D88359;A821678;J-019098;J-515918;Q27270935

Chemical Property of 4-Pentylaniline

Chemical Property:

• Vapor Pressure: 0.00862mmHg at 25°C
• Melting Point: 46.25°C (estimate)
• Refractive Index: n20/D 1.53(lit.)
• Boiling Point: 266.5 ºC at 760 mmHg
• PKA: 5.10±0.10(Predicted)
• Flash Point: 113.5 ºC
• PSA: 26.02000
• Density: 0.937 g/cm³
• LogP: 3.58270
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Sparingly soluble in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

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

4-Pentylaniline ^*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: CCCCCC1=CC=C(C=C1)N
• Uses: 4-Pentylaniline was used in the synthesis of 4-[(4′-pentyl)azo]phenol (5Az-OH) by diazo-coupling reaction with phenol.

Technology Process of 4-Pentylaniline

There total 19 articles about 4-Pentylaniline 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: 98.0%

→ 4-pentylaniline (33228-44-3)

Guidance literature:

With platinum(IV) oxide; hydrogen; In ethanol; for 2h;

Reference yield: 94.0%

1-(4-nitrophenyl)pentane (95857-32-2) → 4-pentylaniline (33228-44-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

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

Reference yield: 91.0%

(4-pentylphenyl)carbamoyl Azide → 4-pentylaniline (33228-44-3)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 20 ℃; for 0.5h;

DOI:10.1021/acs.joc.7b01019

upstream raw materials:

N-pentylaniline

pentan-1-ol

aniline

aniline hydrochloride

Downstream raw materials:

5-Ethoxy-2-{[(E)-4-pentyl-phenylimino]-methyl}-phenol

2-(4-Pentyl-phenylamino)-1,9-dihydro-purin-6-one

C₂₀H₂₇N₃O₃S

4,4′-dipentylazoxybenzene

Refernces

• 1、 -. "CLASS II HMG-COA REDUCTASE INHIBITORS AND METHODS OF USE". Paragraph 0050. . Retrieved 2014/01/08.
• 2、 Zygadlo,Dardas,Nowicka,Hofmann,Galewski. "Liquid-crystalline polymorphism of symmetrical azobananas: Bis(4-(4-alkylphenyl)azophenyl) 2-nitroisophtalates". scheme or table. p. 283 - 291. Retrieved 2011/08/02.