N-Propylaniline

Base Information

• Chemical Name: N-Propylaniline
• CAS No.: 622-80-0
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 2921420090
• European Community (EC) Number: 210-754-4
• DSSTox Substance ID: DTXSID2060759
• Nikkaji Number: J1.221A
• Wikidata: Q72502597
• Mol file: 622-80-0.mol

Synonyms:N-PROPYLANILINE;622-80-0;Benzenamine, N-propyl-;Aniline, N-propyl-;N-n-Propylaniline;N,N-Propylaniline;EINECS 210-754-4;AI3-08884;Propylaniline;N-propyl aniline;N-propyl-aniline;N-(n-Propyl)aniline;Aniline, N-n-propyl-;N-Phenyl-n-propylamine #;SCHEMBL52481;DTXSID2060759;SCHEMBL10444136;N-Phenyl-N-propylamine, AldrichCPR;BBL012082;MFCD00048678;STL016111;AKOS025396920;VS-03198;CS-0119882;FT-0715058;P0626;D91987;W-105022

Chemical Property of N-Propylaniline

Chemical Property:

• Vapor Pressure: 0.109mmHg at 25°C
• Melting Point: -6.87°C (estimate)
• Refractive Index: 1.5410 to 1.5440
• Boiling Point: 221.1ºC at 760 mmHg
• PKA: 5.04±0.20(Predicted)
• Flash Point: 86.8 ºC
• PSA: 12.03000
• Density: 0.952 g/cm³
• LogP: 2.58150
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

98% ^*data from raw suppliers

N-Propylaniline >98.0%(GC)(T) ^*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: CCCNC1=CC=CC=C1

Technology Process of N-Propylaniline

There total 127 articles about N-Propylaniline 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: 100.0%

N-allyl-N-(benzyloxycarbonyl)aniline (246257-97-6) → N-propylaniline (622-80-0)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.1002/cctc.201500193

Reference yield: 98.0%

N-ethylideneaniline (7138-58-1) → N-propylaniline (622-80-0)

Guidance literature:

With platinum-nickel nanoclusters on activated carbon; hydrogen; at 180 ℃; Flow reactor;

DOI:10.1134/S1070363218100018

Reference yield: 95.0%

N-(phenyl)-2-methylacetamide (620-71-3) → N-propylaniline (622-80-0)

Guidance literature:

With C₁₈H₃₂ClIrO₂P₂; tris(pentafluorophenyl)borate; hydrogen; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In toluene; at 120 ℃; for 24h; under 38002.6 Torr; chemoselective reaction;

DOI:10.1021/acscatal.6b01019

upstream raw materials:

propan-1-ol

aniline hydrochloride

phenyl-propyl-carbamonitrile

propyl bromide

Downstream raw materials:

N-propyl-N-isopropylaniline

N-Propyl-N-ethylaniline

N-methyl-N-n-propylaniline

bis-(4-propylamino-phenyl)-methane

Refernces

• 1、 Doebner,v.Miller. "-". . p. 1717. Retrieved 1884.
• 2、 Duan, Wentao,Lian, Qi,Wang, Songping,Wei, Wentao,Zhou, Jingwei. "Catalyst-free photoinduced selective oxidative C(sp3)-C(sp3) bond cleavage in arylamines". supporting information. p. 3261 - 3267. Retrieved 2021/05/21.
• 3、 Yamada, Tsuyoshi,Ogawa, Aya,Masuda, Hayato,Teranishi, Wataru,Fujii, Akiko,Park, Kwihwan,Ashikari, Yosuke,Tomiyasu, Noriyuki,Ichikawa, Tomohiro,Miyamoto, Riichi,Bai, Hongzhi,Matsuyama, Kiyoshi,Nagaki, Aiichiro,Sajiki, Hironao. "Pd catalysts supported on dual-pore monolithic silica beads for chemoselective hydrogenation under batch and flow reaction conditions". . p. 6359 - 6367. Retrieved 2020/11/03.