N-Pentylaniline

Base Information

• Chemical Name: N-Pentylaniline
• CAS No.: 2655-27-8
• Molecular Formula: C11H17 N
• Molecular Weight: 163.263
• Hs Code.: 2921420090
• European Community (EC) Number: 220-183-2
• DSSTox Substance ID: DTXSID20181123
• Nikkaji Number: J28.368A
• Wikidata: Q83051748
• Mol file: 2655-27-8.mol

Synonyms:N-Pentylaniline;2655-27-8;Benzenamine, N-pentyl-;N-N-PENTYLANILINE;N-N-Amylaniline;N-Amyl aniline;EINECS 220-183-2;Amylanilin;N-Amylaniline;N-pentylphenylamine;Aniline, N-pentyl-;SCHEMBL96273;DTXSID20181123;N-Pentyl-N-phenylamine, AldrichCPR;MFCD00059431;AKOS000253572;SB76288;BS-16335;CS-0152133;FT-0732983;P0623;T72196

Chemical Property of N-Pentylaniline

Chemical Property:

• Vapor Pressure: 0.0139mmHg at 25°C
• Melting Point: 46.25°C (estimate)
• Refractive Index: 1.5260 to 1.5290
• Boiling Point: 258.3°Cat760mmHg
• PKA: 5.05±0.50(Predicted)
• Flash Point: 109.7°C
• PSA: 12.03000
• Density: 0.933g/cm³
• LogP: 3.36170
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 95.2

Purity/Quality:

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

N-Pentylaniline ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCNC1=CC=CC=C1

Technology Process of N-Pentylaniline

There total 60 articles about N-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: 93.0%

N-allyl-N-pentylphenylamine (189498-22-4) → N-pentylaniline (2655-27-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; p-toluene sulfinic acid; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/jo971194c

Reference yield: 92.0%

pentan-1-ol (71-41-0) + aniline (62-53-3) → N-pentylaniline (2655-27-8)

Guidance literature:

With C₃₈H₄₃ClIrN₂O₂P; caesium carbonate; silver(I) triflimide; In toluene; for 24h; Schlenk technique; Inert atmosphere; Reflux;

DOI:10.1021/cs5009909

Reference yield: 87.0%

n-butyllithium (109-72-8,29786-93-4) + methoxymethylphenylamine (88933-19-1) → N-pentylaniline (2655-27-8)

Guidance literature:

In diethyl ether; at 0 ℃;

DOI:10.1039/c39830001109

upstream raw materials:

pentanal

nitrobenzene

aniline

1-Chloropentane

Downstream raw materials:

4-pentylaniline

Butansulfonsaeure-N-pentyl-anilid

aniline

4-(1H-benzotriazol-1-ylmethyl)-N-pentylaniline

Refernces

• 1、 Li, Guangming,Li, Jingfang,Li, Weizuo,Li, Xuewei,Li, Zhibin,Mao, Guijie,She, Wei,Wang, Jing. "A highly efficient Co-based catalyst fabricated by coordination-assisted impregnation strategy towards tandem catalytic functionalization of nitroarenes with various alcohols". . p. 462 - 474. Retrieved 2021/11/11.
• 2、 Albkuri, Yahya M.,RanguMagar, Ambar B.,Brandt, Andrew,Wayland, Hunter A.,Chhetri, Bijay P.,Parnell, Charlette M.,Szwedo, Peter,Parameswaran-Thankam, Anil,Ghosh, Anindya. "C–N Cross-coupling Reactions of Amines with Aryl Halides Using Amide-Based Pincer Nickel(II) Catalyst". . p. 1669 - 1678. Retrieved 2019/12/27.