N-(2-chloroacetyl)-3-oxobutanamide

Base Information

• Chemical Name: N-(2-chloroacetyl)-3-oxobutanamide
• CAS No.: 82437-53-4
• Molecular Formula: C₆H₈ClNO₃
• Molecular Weight: 177.587
• DSSTox Substance ID: DTXSID20377665
• Wikidata: Q82166972
• Mol file: 82437-53-4.mol

Synonyms:N-(2-chloroacetyl)-3-oxobutanamide;82437-53-4;DTXSID20377665;MFCD00172744;AKOS005079973;FT-0641866;12F-901

Chemical Property of N-(2-chloroacetyl)-3-oxobutanamide

Chemical Property:

• Vapor Pressure: 0.000333mmHg at 25°C
• Melting Point: 105-115°C
• Boiling Point: 319.7°C at 760 mmHg
• Flash Point: 147.1°C
• PSA: 63.24000
• Density: 1.276g/cm³
• LogP: 0.23800
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 177.0192708
• Heavy Atom Count: 11
• Complexity: 190

Purity/Quality:

N-(2-CHLOROACETYL)-3-OXOBUTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)NC(=O)CCl

Technology Process of N-(2-chloroacetyl)-3-oxobutanamide

There total 1 articles about N-(2-chloroacetyl)-3-oxobutanamide 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: 90.0%

2,2,6-trimethyl-4H-1,3-dioxin-4-one (5394-63-8) + Chloroacetamide (79-07-2) → 3-oxobutanoic acid chloroacetamide (82437-53-4)

Guidance literature:

In xylene; for 0.5h; Heating;

Reference yield: 78.0%

2-Amino-4,6-dimethylpyridine (5407-87-4) + 3-oxobutanoic acid chloroacetamide (82437-53-4) + orthoformic acid triethyl ester (122-51-0) → 2-Chloro-N-{2-[1-(4,6-dimethyl-pyridin-2-ylamino)-meth-(E)-ylidene]-3-oxo-butyryl}-acetamide (138524-80-8)

Guidance literature:

In toluene; Heating;

DOI:10.1002/jhet.5570280715

upstream raw materials:

2,2,6-trimethyl-4H-1,3-dioxin-4-one

Chloroacetamide

Downstream raw materials:

2-Chloro-N-{2-[1-(4,6-dimethyl-pyridin-2-ylamino)-meth-(E)-ylidene]-3-oxo-butyryl}-acetamide

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