Benzenepropanamide, N,N-bis(1-methylethyl)-

Base Information

• Chemical Name: Benzenepropanamide, N,N-bis(1-methylethyl)-
• CAS No.: 20308-62-7
• Molecular Formula: C15H23NO
• Molecular Weight: 233.354
• DSSTox Substance ID: DTXSID20402784
• Nikkaji Number: J1.283.679A
• Wikidata: Q82206274
• Mol file: 20308-62-7.mol

Synonyms:Benzenepropanamide, N,N-bis(1-methylethyl)-;20308-62-7;SCHEMBL14958585;DTXSID20402784;N,N-Diisopropylbenzenepropionamide;AKOS003867465

Chemical Property of Benzenepropanamide, N,N-bis(1-methylethyl)-

Chemical Property:

• PSA: 20.31000
• LogP: 3.26460
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 233.177964357
• Heavy Atom Count: 17
• Complexity: 221

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(C(C)C)C(=O)CCC1=CC=CC=C1

Technology Process of Benzenepropanamide, N,N-bis(1-methylethyl)-

There total 9 articles about Benzenepropanamide, N,N-bis(1-methylethyl)- 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: 96.0%

3-Phenyl-propionic acid 2-thioxo-2H-pyridin-1-yl ester (114050-31-6) + diisopropylamine (108-18-9) → N,N-diisopropyl-3-phenylpropionamide (20308-62-7)

Guidance literature:

In dichloromethane; for 12h; Ambient temperature;

DOI:10.1016/0040-4020(96)00487-5

Reference yield: 90.0%

diisopropylamine (108-18-9) + 3-Phenylpropionic acid (501-52-0) → N,N-diisopropyl-3-phenylpropionamide (20308-62-7)

Guidance literature:

With 1-(tert-butoxy)-2-(tert-butoxy)carbonyl-1,2-dihydroisoquinoline; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.tet.2008.09.094

Reference yield: 89.0%

N,N-diisopropyl-S-4-chlorobenzenesulfenamide (71855-61-3) + 3-Phenyl-propionic acid 2-thioxo-2H-pyridin-1-yl ester (114050-31-6) → 4-chlorophenyl 1-oxo-pyridin-2-yl disulfide (64826-48-8) + N,N-diisopropyl-3-phenylpropionamide (20308-62-7)

Guidance literature:

for 120h; Ambient temperature;

DOI:10.1016/0040-4020(96)00487-5

upstream raw materials:

diisopropylamine

hydrocinnamic acid chloride

S-phenyl-N,N-diisopropyl-sulfenamide

3-Phenyl-propionic acid 2-thioxo-2H-pyridin-1-yl ester

Downstream raw materials:

ethyl dihydrocinnamate

3-Phenyl-1-propanol

diisopropyl 3-hydroxy-3-phenylpropanamide