Butanamide, 2,2-dichloro-N-methyl-3-oxo-

Base Information

• Chemical Name: Butanamide, 2,2-dichloro-N-methyl-3-oxo-
• CAS No.: 20132-74-5
• Molecular Formula: C5H7Cl2NO2
• Molecular Weight: 184.022
• Hs Code.: 2924199090
• European Community (EC) Number: 243-536-2
• DSSTox Substance ID: DTXSID8066559
• Nikkaji Number: J68.580A
• Wikidata: Q81993135
• Mol file: 20132-74-5.mol

Synonyms:20132-74-5;Butanamide, 2,2-dichloro-N-methyl-3-oxo-;2,2-Dichloro-N-methyl-3-oxobutyramide;2,2-Dichloro-N-methylacetoacetamide;EINECS 243-536-2;C5H7Cl2NO2;SCHEMBL9808705;C5-H7-Cl2-N-O2;DTXSID8066559;a,a-dichloro-N-methylacetoacetamide;Acetoacetamide, 2,2-dichloro-N-methyl-

Chemical Property of Butanamide, 2,2-dichloro-N-methyl-3-oxo-

Chemical Property:

• Vapor Pressure: 0.00893mmHg at 25°C
• Boiling Point: 265.9°C at 760 mmHg
• Flash Point: 114.6°C
• PSA: 49.66000
• Density: 1.343g/cm³
• LogP: 1.33560
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.9853839
• Heavy Atom Count: 10
• Complexity: 167

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-Dichloro-N-methyl-3-oxobutanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(=O)NC)(Cl)Cl
• Uses: 2,2-Dichloro-N-methyl-3-oxobutanamide is an intermediate used in the synthesis of Monocrotophos-d6 (M526052), which is a labeled Monocrotophoes, an organophosphorous insecticide. Monocrotophos is used mainly against cotton pests but it is also used in the protection of citrus, rice, potatoes, vegetables and other crops.

Technology Process of Butanamide, 2,2-dichloro-N-methyl-3-oxo-

There total 1 articles about Butanamide, 2,2-dichloro-N-methyl-3-oxo- 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: 82.0%

N-methylacetoacetamide (20306-75-6) → 2,2-dichloro-N-methyl-3-oxobutanamide (20132-74-5)

Guidance literature:

With palladium diacetate; copper dichloride; In dichloromethane; at 20 ℃; for 8h; Schlenk technique;

DOI:10.1055/s-0033-1338515

Reference yield:

2,2-dichloro-N-methyl-3-oxobutanamide (20132-74-5) + phosphorous acid trimethyl ester (121-45-9) → phosphoric acid-(2-chloro-1-methyl-2-methylcarbamoyl-vinyl ester)-dimethyl ester (34491-04-8)

Guidance literature:

With xylene;

upstream raw materials:

N-methylacetoacetamide

Downstream raw materials:

phosphoric acid-(2-chloro-1-methyl-2-methylcarbamoyl-vinyl ester)-dimethyl ester

Refernces