N,N-Dipropylaniline

Base Information

• Chemical Name: N,N-Dipropylaniline
• CAS No.: 2217-07-4
• Molecular Formula: C12H19N
• Molecular Weight: 177.29
• Hs Code.: 2921420090
• European Community (EC) Number: 218-705-9
• NSC Number: 5689
• UNII: BZ9F2K19KE
• DSSTox Substance ID: DTXSID5062265
• Nikkaji Number: J29.620A
• Wikidata: Q81989943
• Mol file: 2217-07-4.mol

Synonyms:N,N-Dipropylaniline;N,N-Di-n-propylaniline;2217-07-4;Dipropylaniline;Benzenamine, N,N-dipropyl-;N-Phenyldipropylamine;Aniline, N,N-dipropyl-;Dipropylamine, N-phenyl-;BZ9F2K19KE;N,N-Di-(n-propyl)benzenamine;NSC-5689;Benzenamine,N,N-dipropyl-;NSC5689;Aniline,N-dipropyl-;N,N-dipropyl-aniline;Benzenamine,N-dipropyl-;UNII-BZ9F2K19KE;N-phenyl-N,N-dipropylamine;N,N-DIPROPYLBENZENAMINE;SCHEMBL411733;DTXSID5062265;ADAL1013667;CAA21707;NSC 5689;EINECS 218-705-9;MFCD00035797;AKOS009031624;D1941;FT-0634141;D89952;W-107496

Chemical Property of N,N-Dipropylaniline

Chemical Property:

• Appearance/Colour: clear brown liquid
• Vapor Pressure: 0.0294mmHg at 25°C
• Melting Point: -45°C (estimate)
• Refractive Index: 1.523
• Boiling Point: 245 °C at 760 mmHg
• PKA: 5.68±0.20(Predicted)
• Flash Point: 102.2 °C
• PSA: 3.24000
• Density: 0.916g/cm³
• LogP: 3.31300
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 177.151749610
• Heavy Atom Count: 13
• Complexity: 110

Purity/Quality:

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

N,N-Dipropylaniline >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)C1=CC=CC=C1

Technology Process of N,N-Dipropylaniline

There total 58 articles about N,N-Dipropylaniline 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: 99.6%

aniline (62-53-3) + propiononitrile (107-12-0) → N-propylaniline (622-80-0) + N,N-dipropylaniline (2217-07-4)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; water; at 20 ℃; for 6.7h;

DOI:10.1021/ol047580f

Reference yield: 97.0%

propan-1-ol (71-23-8) + aniline (62-53-3) → N,N-dipropylaniline (2217-07-4)

Guidance literature:

With 10wt%Cu-5wt%Co/γ-Al₂O₃; at 180 ℃; for 4h; Autoclave; Inert atmosphere;

Reference yield: 93.0%

N,N-diallylaniline (6247-00-3) + 2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole (241147-96-6) → para-tert-butylphenol (98-54-4) + N,N-dipropylaniline (2217-07-4)

Guidance literature:

With oxygen; hydrazine hydrate; In acetonitrile; at 32 ℃; for 6h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/ejoc.201501222

upstream raw materials:

N-propylaniline

propyl bromide

propan-1-ol

aniline

Downstream raw materials:

4-[N,N-bis(n-propyl)amino]benzaldehyde

N-carboethoxyaniline

1,3-diphenyl-1-propylurea

bis(diphenyl)urea

Refernces

• 1、 -. "Preparation method of N-alkylated derivative of primary amine compound". Paragraph 0021; 0055. . Retrieved 2021/07/09.
• 2、 Kadyrov, Renat,Moebus, Konrad. "Reductive Alkylation of Amines with Carboxylic Ortho Esters". supporting information. p. 3352 - 3357. Retrieved 2020/07/04.