2,2-Dichloro-N,N-diethyl-3-oxobutyramide

Base Information

• Chemical Name: 2,2-Dichloro-N,N-diethyl-3-oxobutyramide
• CAS No.: 16695-57-1
• Molecular Formula: C8H13 Cl2 N O2
• Molecular Weight: 226.103
• Hs Code.: 2924199090
• European Community (EC) Number: 240-744-5
• DSSTox Substance ID: DTXSID00168210
• Nikkaji Number: J236.824B
• Wikidata: Q83037756
• Mol file: 16695-57-1.mol

Synonyms:2,2-dichloro-n,n-diethyl-3-oxobutanamide;2,2-Dichloro-N,N-diethyl-3-oxobutyramide;50433-06-2;16695-57-1;C8H13Cl2NO2;EINECS 240-744-5;DTXSID00168210;AKOS016014134;a,a-dichloroacetoacetic acid diethylamide;Butanamide, 2,2-dichloro-N,N-diethyl-3-oxo-

Chemical Property of 2,2-Dichloro-N,N-diethyl-3-oxobutyramide

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Boiling Point: 259.3°Cat760mmHg
• PKA: -1.65±0.70(Predicted)
• Flash Point: 110.7°C
• PSA: 37.38000
• Density: 1.222g/cm³
• LogP: 1.61770
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 225.0323340
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)C(C(=O)C)(Cl)Cl
• Uses: N,N-Diethyldichloroacetoacetamide is an intermediate in the synthesis of Phosphamidon (E/Z mixture) (P353730), an organophosphate insecticide that acts as a cholinesterase inhibitor.

Technology Process of 2,2-Dichloro-N,N-diethyl-3-oxobutyramide

There total 1 articles about 2,2-Dichloro-N,N-diethyl-3-oxobutyramide 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:

N,N-diethyl-3-oxobutanamide (2235-46-3) → 2,2-dichloro-acetoacetic acid diethylamide (16695-57-1)

Guidance literature:

With sulfuryl dichloride;

DOI:10.1002/hlca.19610440621

Reference yield:

2,2-dichloro-acetoacetic acid diethylamide (16695-57-1) + phosphorous acid trimethyl ester (121-45-9) → dimecron (297-99-4,13171-21-6,23783-98-4)

Guidance literature:

With chlorobenzene;

upstream raw materials:

N,N-diethyl-3-oxobutanamide

Downstream raw materials:

dimecron