N-Decylaniline

Base Information

• Chemical Name: N-Decylaniline
• CAS No.: 3007-73-6
• Molecular Formula: C16H27 N
• Molecular Weight: 233.397
• DSSTox Substance ID: DTXSID90184141
• Nikkaji Number: J28.372J
• Wikidata: Q83055018
• Mol file: 3007-73-6.mol

Synonyms:N-Decylaniline;3007-73-6;Benzenamine, N-decyl-;decylphenylamine;SCHEMBL1935039;DTXSID90184141;AKOS006210797

Chemical Property of N-Decylaniline

Chemical Property:

• Vapor Pressure: 7.5E-05mmHg at 25°C
• Boiling Point: 342.5°Cat760mmHg
• PKA: 5.06±0.50(Predicted)
• Flash Point: 162.1°C
• PSA: 12.03000
• Density: 0.906g/cm³
• LogP: 5.31220
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 233.214349865
• Heavy Atom Count: 17
• Complexity: 150

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCNC1=CC=CC=C1

Technology Process of N-Decylaniline

There total 14 articles about N-Decylaniline 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%

1-Decanol (112-30-1) + aniline (62-53-3) → N-decylaniline (3007-73-6)

Guidance literature:

With Ni nanoparticle-loaded θ-Al₂O₃; In o-xylene; at 144 ℃; for 6h; Inert atmosphere;

DOI:10.1021/cs4001267

Reference yield: 88.0%

methanesulfonic acid decyl ester (41233-29-8) + aniline (62-53-3) → N-decylaniline (3007-73-6)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; for 2h; Reflux; Inert atmosphere; Molecular sieve;

Reference yield: 83.0%

1-decyne (764-93-2) + aniline (62-53-3) → N-decylaniline (3007-73-6)

Guidance literature:

1-decyne; With 1-methyl-pyrrolidin-2-one; C₁₇H₁₁ClF₆N₂Ru⁽¹⁺⁾; In water; at 25 ℃; for 24h; Inert atmosphere;

aniline; With borane-2-picoline complex; acetic acid; at 25 ℃; for 6h;

DOI:10.1021/acs.joc.5b01220

upstream raw materials:

1-Decanol

aniline

1-bromo dodecane

Formanilid

Downstream raw materials:

C₄₀H₆₆N₄O₂

C₁₇H₂₆ClNO

Refernces

• 1、 Jiang, Yong,Hu, Miao,Sun, Nan,Hu, Baoxiang,Shen, Zhenlu,Hu, Xinquan,Jin, Liqun. "Bidentate geometry-constrained iminopyridyl nickel-catalyzed synthesis of amines or imines via borrowing hydrogen or dehydrogenative condensation". supporting information. . Retrieved 2020/11/27.
• 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.