N-Butylacetanilide

Base Information

• Chemical Name: N-Butylacetanilide
• CAS No.: 91-49-6
• Molecular Formula: C12H17 N O
• Molecular Weight: 191.273
• Hs Code.: 2924299090
• European Community (EC) Number: 202-071-5
• NSC Number: 7662
• UNII: 8M351V3SUN
• DSSTox Substance ID: DTXSID2042197
• Nikkaji Number: J4.341I
• Wikidata: Q15632770
• Mol file: 91-49-6.mol

Synonyms:N-butylacetanilide

Chemical Property of N-Butylacetanilide

Chemical Property:

• Appearance/Colour: clear to yellow liquid
• Vapor Pressure: 0.00366mmHg at 25°C
• Melting Point: 21 C
• Refractive Index: 1.5146 (estimate)
• Boiling Point: 273 - 275 C
• PKA: 0.54±0.50(Predicted)
• Flash Point: 141 C
• PSA: 20.31000
• Density: 0.9303 g/cm3 (16 C)
• LogP: 2.83960
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

N-Butyl-N-phenylacetamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: UN NO.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Insect Repellents
• Canonical SMILES: CCCCN(C1=CC=CC=C1)C(=O)C

Technology Process of N-Butylacetanilide

There total 8 articles about N-Butylacetanilide 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: 81.0%

N-Dibutylaniline (613-29-6) + acetic anhydride (108-24-7) → N-butyl-N-phenyl-acetamide (91-49-6)

Guidance literature:

With pyridine; tert.-butylhydroperoxide; iron(II) chloride; In acetonitrile; at 85 ℃; for 2h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/jo400804p

Reference yield: 72.0%

di-n-butylzinc (1119-90-0) + nitrobenzene (98-95-3,26969-40-4) + acetyl chloride (75-36-5) → N-butyl-N-phenyl-acetamide (91-49-6)

Guidance literature:

di-n-butylzinc; nitrobenzene; With triethylamine; bis(pinacol)diborane; In tetrahydrofuran; toluene; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere;

acetyl chloride; In tetrahydrofuran; toluene; at 20 ℃; for 4h; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201705356

Reference yield: 68.0%

N-butylacetamide (1119-49-9) + Diphenyliodonium triflate (66003-76-7) → N-butyl-N-phenyl-acetamide (91-49-6)

Guidance literature:

N-butylacetamide; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.166667h;

Diphenyliodonium triflate; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1039/c6ob01649a

upstream raw materials:

N-(n-butyl)aniline

acetic anhydride

Acetanilid

1-bromo-butane