N,N-Dimethyl-4-oxo-4-phenylbutanamide

Base Information

• Chemical Name: N,N-Dimethyl-4-oxo-4-phenylbutanamide
• CAS No.: 26976-88-5
• Molecular Formula: C12H15 N O2
• Molecular Weight: 205.257
• NSC Number: 116416
• DSSTox Substance ID: DTXSID70297506
• Nikkaji Number: J671.580J
• Wikidata: Q82038626
• Mol file: 26976-88-5.mol

Synonyms:N,N-Dimethyl-4-oxo-4-phenylbutanamide;26976-88-5;N,N-Dimethyl-gamma-oxobenzenebutanamide;N,N-Dimethyl-4-oxo-4-phenyl-butyramide;NSC116416;SCHEMBL940512;DTXSID70297506;AKOS017079056;NSC-116416;4-oxo-N,N-dimethyl-4-phenyl-butyramide;AS-79016;N,N-Dimethyl-4-oxo-4-phenylbutanamide #;D94218

Chemical Property of N,N-Dimethyl-4-oxo-4-phenylbutanamide

Chemical Property:

• Vapor Pressure: 3.7E-05mmHg at 25°C
• Boiling Point: 353°Cat760mmHg
• Flash Point: 155.7°C
• Density: 1.072g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)CCC(=O)C1=CC=CC=C1

Technology Process of N,N-Dimethyl-4-oxo-4-phenylbutanamide

There total 17 articles about N,N-Dimethyl-4-oxo-4-phenylbutanamide 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: 90.0%

dimethyl amine (124-40-3) + succinylbenzene (2051-95-8) → N,N-dimethyl 4-oxo-4-phenyl-butanamide (26976-88-5)

Guidance literature:

succinylbenzene; With 1,1'-carbonyldiimidazole; In dichloromethane; for 1h; Inert atmosphere;

dimethyl amine; In tetrahydrofuran; dichloromethane; Inert atmosphere;

DOI:10.1021/jacs.0c11462

Reference yield: 89.0%

tert-butyldimethyl(1-phenylvinyloxy)silane (66324-10-5) + N,N-dimethyl-2-(tributylstannyl)acetamide (14230-38-7) → N,N-dimethyl 4-oxo-4-phenyl-butanamide (26976-88-5)

Guidance literature:

With tetrabutylammonium hexanitratocerate(IV); potassium carbonate; In acetonitrile; at 0 ℃; for 2h;

DOI:10.1246/cl.1993.1689

Reference yield: 75.0%

N,N-Dimethylacrylamide (2680-03-7,68761-83-1) + benzaldehyde (100-52-7) → N,N-dimethyl 4-oxo-4-phenyl-butanamide (26976-88-5)

Guidance literature:

With 3-methylpyridin-2-ylamine; benzoic acid; Wilkinson's catalyst; In toluene; at 150 ℃; for 6h;

DOI:10.1002/ejoc.200600236

upstream raw materials:

5-phenyl-3H-furan-2-one

dimethyl amine

succinylbenzene

N,N,N,N,N,N-hexamethylphosphoric triamide

Downstream raw materials:

4-hydroxy-N,N-dimethyl-4-phenylbutanamide

3-(1,3-benzothiazol-2-yl)-1-phenylpropan-1-one