N,N-Diethylcarbamic acid alpha-methylbenzylideneamino ester

Base Information

• Chemical Name: N,N-Diethylcarbamic acid alpha-methylbenzylideneamino ester
• CAS No.: 30289-16-8
• Molecular Formula: C13H18 N2 O2
• Molecular Weight: 234.298
• NSC Number: 109034
• DSSTox Substance ID: DTXSID40419011
• Nikkaji Number: J3.235.533A
• Mol file: 30289-16-8.mol

Synonyms:30289-16-8;AC1NTH3N;DTXSID40419011;NSC109034;NSC-109034;N,N-Diethylcarbamic acid alpha-methylbenzylideneamino ester

Chemical Property of N,N-Diethylcarbamic acid alpha-methylbenzylideneamino ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 316.9°Cat760mmHg
• Flash Point: 145.5°C
• Density: 1.01g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)ON=C(C)C1=CC=CC=C1
• Isomeric SMILES: CCN(CC)C(=O)O/N=C(/C)\C1=CC=CC=C1

Technology Process of N,N-Diethylcarbamic acid alpha-methylbenzylideneamino ester

There total 1 articles about N,N-Diethylcarbamic acid alpha-methylbenzylideneamino ester 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:

acetophenone oxime (613-91-2) + N,N-diethyl-1H-imidazole-1-carboxamide (61985-24-8) → acetophenone N,N-diethylcarbamoyl oxime (30289-16-8)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 18.5h;

DOI:10.1021/ja402833w

Reference yield:

acetophenone N,N-diethylcarbamoyl oxime (30289-16-8) → benzoyloxy radical (1854-28-0) + C12H18N2 + diethylamine (109-89-7) + acetophenonazine (729-43-1)

Guidance literature:

With norbornene; 1-(4-methoxyphenyl)ethanone; at 20 ℃; for 8h; Inert atmosphere; Photolysis;

DOI:10.1021/ja402833w

Reference yield:

acetophenone N,N-diethylcarbamoyl oxime (30289-16-8) → C12H18N2 + 1-phenylethanimine (13280-20-1) + acetophenone (98-86-2)

Guidance literature:

With 2-propenamide; 1-(4-methoxyphenyl)ethanone; at 20 ℃; for 8h; Inert atmosphere; Photolysis;

DOI:10.1021/ja402833w

upstream raw materials:

acetophenone oxime

N,N-diethyl-1H-imidazole-1-carboxamide

Downstream raw materials:

benzoyloxy radical

diethylamine

acetophenonazine

1-phenylethanimine