N-Propylacetanilide

Base Information

• Chemical Name: N-Propylacetanilide
• CAS No.: 2437-98-1
• Molecular Formula: C11H15 N O
• Molecular Weight: 177.246
• Hs Code.: 2924299090
• NSC Number: 4700
• UNII: O69TFQ5FM7
• DSSTox Substance ID: DTXSID30179117
• Nikkaji Number: J54.163J
• Wikidata: Q83049629
• Mol file: 2437-98-1.mol

Synonyms:N-Propylacetanilide;N-Phenyl-N-propylacetamide;2437-98-1;ACETANILIDE, N-PROPYL-;Acetamide, N-phenyl-N-propyl-;NSC 4700;N-phenyl-N-propyl-acetamide;BRN 2937367;O69TFQ5FM7;ACETYL-N-PROPYLANILINE;AI3-05524;NSC-4700;Acetamide, N-phenyl-N-propyl- (9CI);NSC4700;UNII-O69TFQ5FM7;WLN: 3NR&V1;SCHEMBL2069635;DTXSID30179117;ADAL1013649;AKOS006278993

Chemical Property of N-Propylacetanilide

Chemical Property:

• Vapor Pressure: 0.0103mmHg at 25°C
• Melting Point: 49oC
• Refractive Index: 1.5302 (estimate)
• Boiling Point: 263.4°Cat760mmHg
• PKA: 0.54±0.50(Predicted)
• Flash Point: 109.4°C
• PSA: 20.31000
• Density: 1.018g/cm³
• LogP: 2.44950
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

ACETYL-N-PROPYLANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(C1=CC=CC=C1)C(=O)C

Technology Process of N-Propylacetanilide

There total 8 articles about N-Propylacetanilide 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: 92.0%

N-allyl-N-phenylacetamide (55487-54-2) → N-propyl-acetanilide (2437-98-1)

Guidance literature:

With sodium tetrahydroborate; water; dihydridotetrakis(triphenylphosphine)ruthenium; In toluene; at 100 ℃; for 22h;

DOI:10.1016/j.tetlet.2006.10.026

Reference yield:

N-phenyl-N-(prop-2-yn-1-yl)acetamide (99842-48-5) → N-propyl-acetanilide (2437-98-1)

Guidance literature:

With ethanol; platinum; Hydrogenation;

Reference yield:

N-phenyl-N-prop-2-ynylamine (14465-74-8) → N-propyl-acetanilide (2437-98-1)

Guidance literature:

Multi-step reaction with 2 steps

2: platinum; ethanol / Hydrogenation

With ethanol; platinum;

upstream raw materials:

N-phenyl-N-(prop-2-yn-1-yl)acetamide

N-propylaniline

acetic anhydride

2,4-dinitrophenyl acetate

Refernces

• 1、 Oleinik, N. M.,Sadovskii, Yu. S.,Litvinenko, L. M.,Radchenko, N. D.,Korzhilova, L. I.. "EFFECT OF THE STRUCTURE OF THE AMINE ON THE RATE OF BASE-CATALYZED ACYLATION OF ALKYL AROMATIC AMINES BY BENZOYL CHLORIDE AND 2,4-DINITROPHENYL ACETATE". . p. 1144 - 1152. Retrieved 2007/10/02.