4-Chloro-3-oxobutyryl chloride

Base Information

• Chemical Name: 4-Chloro-3-oxobutyryl chloride
• CAS No.: 41295-64-1
• Molecular Formula: C4H4 Cl2 O2
• Molecular Weight: 154.981
• Hs Code.: 2918300090
• European Community (EC) Number: 255-301-1
• UNII: FDJ3RDX5VF
• DSSTox Substance ID: DTXSID90194280
• Nikkaji Number: J26.706F
• Wikidata: Q83067046
• Mol file: 41295-64-1.mol

Synonyms:4-Chloro-3-oxobutyryl chloride;4-chloro-3-oxobutanoyl chloride;41295-64-1;Butanoyl chloride,4-chloro-3-oxo-;4-Chloroacetoacetyl chloride;gamma-chloroacetoacetyl chloride;EINECS 255-301-1;Butanoyl chloride, 4-chloro-3-oxo-;FDJ3RDX5VF;3-oxo-4-chlorobutyryl chloride;SCHEMBL5000082;DTXSID90194280;WSHVQVCBPLNREW-UHFFFAOYSA-N;gamma-chloroacetoacetic acid chloride;AKOS006386912;FT-0700729

Chemical Property of 4-Chloro-3-oxobutyryl chloride

Chemical Property:

• Vapor Pressure: 0.299mmHg at 25°C
• Refractive Index: 1.4860 (estimate)
• Boiling Point: 202°Cat760mmHg
• PKA: 7.07±0.46(Predicted)
• Flash Point: 79.3°C
• PSA: 34.14000
• Density: 1.389g/cm³
• LogP: 0.94980
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 153.9588348
• Heavy Atom Count: 8
• Complexity: 111

Purity/Quality:

98%Min ^*data from raw suppliers

4-Chloro-3-oxobutanoylchloride 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)CCl)C(=O)Cl
• Uses: 4-Chloroacetoacetyl Chloride is an impurity of Amlodipine Besylate(A633500); is a dihydropyridine calcium channel blocker. Used as an antianginal and antihypertensive. 4-Chloroacetoacetyl Chloride is used in preparation of Dioxohexanoate by Chlorination of Methyleneoxetanone followed by condensation with Meldrum''s acid and esterification.

Technology Process of 4-Chloro-3-oxobutyryl chloride

There total 5 articles about 4-Chloro-3-oxobutyryl chloride 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:

→ 4-chloroacetoacetyl chloride (41295-64-1) + 4-chloro-3-oxobutanoic acid (27807-84-7)

Guidance literature:

Reference yield:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) → 4-chloroacetoacetyl chloride (41295-64-1)

Guidance literature:

With tetrachloromethane; chlorine;

DOI:10.1021/ja01862a042

Reference yield:

2,4-oxetanedione (15159-48-5) → 4-chloroacetoacetyl chloride (41295-64-1)

Guidance literature:

With chlorine;

DOI:10.5012/bkcs.2012.33.5.1703

upstream raw materials:

4-methyleneoxetan-2-one

tetrachloromethane

chlorine

2,4-oxetanedione

Downstream raw materials:

6-chloromethyluracil

4-chloro-acetoacetic acid phenyl ester

3-chloropyruvaldehyde-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]hydrazone

α-chloro-N-methylacetoacetamide