2,2,4-Trimethyl-3-oxo-N-(2-phenylethyl)pentanamide

Base Information

• Chemical Name: 2,2,4-Trimethyl-3-oxo-N-(2-phenylethyl)pentanamide
• CAS No.: 78984-84-6
• Molecular Formula: C₁₆H₂₃NO₂
• Molecular Weight: 261.364
• DSSTox Substance ID: DTXSID901227462
• Mol file: 78984-84-6.mol

Synonyms:2,2,4-Trimethyl-3-oxo-N-(2-phenylethyl)pentanamide;DTXSID901227462;78984-84-6

Chemical Property of 2,2,4-Trimethyl-3-oxo-N-(2-phenylethyl)pentanamide

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 261.172878976
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(=O)C(C)(C)C(=O)NCCC1=CC=CC=C1

Technology Process of 2,2,4-Trimethyl-3-oxo-N-(2-phenylethyl)pentanamide

There total 2 articles about 2,2,4-Trimethyl-3-oxo-N-(2-phenylethyl)pentanamide 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: 62.0%

4-isopropylidene-3,3-dimethyl-oxetan-2-one (3173-79-3) + phenethylamine (64-04-0) → 2,2,4-Trimethyl-3-oxo-valeriansaeure-(2-phenylethyl)-amid (78984-84-6)

Guidance literature:

In toluene;

DOI:10.1002/ardp.19813140704

Reference yield:

4-isopropylidene-3,3-dimethyl-oxetan-2-one (3173-79-3) + N-(2-phenylethyl)-dithiocarbamic acid ammonium salt (24259-65-2) → 2,2,4-Trimethyl-3-oxo-valeriansaeure-(2-phenylethyl)-amid (78984-84-6)

Guidance literature:

With pyridine; sulfuric acid; acetic anhydride; Yield given. Multistep reaction; 1.) 2 h, 2.) 30 min;

DOI:10.1002/ardp.19813140704

upstream raw materials:

4-isopropylidene-3,3-dimethyl-oxetan-2-one

N-(2-phenylethyl)-dithiocarbamic acid ammonium salt

phenethylamine