41295-64-1

Basic information

• Product Name: 4-chloro-3-oxobutyryl chloride
• Synonyms: 4-chloro-3-oxobutyryl chloride;Butanoyl chloride,4-chloro-3-oxo-;4-Chloro-3-oxobutanoyl chloride
• CAS NO: 41295-64-1
• Molecular Formula: C₄H₄Cl₂O₂
• Molecular Weight: 154.97936
• EINECS: 255-301-1
• Mol File: 41295-64-1.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 214.91°C (rough estimate)
• Flash Point: 79.3°C
• Appearance: /
• Density: 1.4397
• Vapor Pressure: 0.299mmHg at 25°C
• Refractive Index: 1.4860 (estimate)
• PKA: 7.07±0.46(Predicted)
• CAS DataBase Reference: 4-chloro-3-oxobutyryl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-chloro-3-oxobutyryl chloride(41295-64-1)
• EPA Substance Registry System: 4-chloro-3-oxobutyryl chloride(41295-64-1)

Safety Data

• Hazardous Substances Data: 41295-64-1(Hazardous Substances Data)

Usage

Description

4-chloro-3-oxobutyryl chloride is an organic compound with the chemical formula C4H4Cl2O3. It is a derivative of butyryl chloride, featuring a chlorine atom at the 4-position and a carbonyl group at the 3-position. 4-chloro-3-oxobutyryl chloride is known for its reactivity and is commonly used as an intermediate in the synthesis of various pharmaceuticals and chemicals.

Uses

Used in Pharmaceutical Industry:
4-chloro-3-oxobutyryl chloride is used as a synthetic intermediate for the development of Amlodipine Besylate (A633500), a dihydropyridine calcium channel blocker. It serves as an antianginal and antihypertensive agent, helping to manage angina and high blood pressure by relaxing blood vessel walls and improving blood flow.
Used in Chemical Synthesis:
In the chemical industry, 4-chloro-3-oxobutyryl chloride is utilized in the preparation of Dioxohexanoate. This process involves the chlorination of Methyleneoxetanone, followed by condensation with Meldrum's acid and subsequent esterification. The resulting Dioxohexanoate can be further used in the synthesis of various chemicals and compounds.
Overall, 4-chloro-3-oxobutyryl chloride plays a significant role in both the pharmaceutical and chemical industries, contributing to the development of essential drugs and chemicals for various applications.

InChI:InChI=1/C4H4Cl2O2/c5-2-3(7)1-4(6)8/h1-2H2

Upstream product

• 15159-48-5 2,4-oxetanedione 
• 674-82-8 4-methyleneoxetan-2-one 
• 56-23-5 tetrachloromethane 
• 7782-50-5 chlorine 

Downstream Products

• 18592-13-7 6-chloromethyluracil 
• 39082-00-3 α-chloroacetoacetanilide 
• 63353-44-6 4-chloro-acetoacetic acid phenyl ester 
• 19359-28-5 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide 
• 31124-02-4 2-chloroacetoacetic acid-4'-methoxyanilide 
• 29676-71-9 2-amino-4-thiazoleacetic acid 
• 32807-28-6 Methyl 4-chloroacetoacetate 
• 638-07-3 ethyl (2-chloroaceto)acetate 
• 871267-44-6 C₁₆H₁₃Cl₂NO₃ 
• 1228365-45-4 C₁₇H₁₆ClNO₃ 
• 1228365-49-8 C₁₁H₁₀Cl₃NO₂ 
• 871267-37-7 C₁₁H₁₁Cl₂NO₂ 
• 400024-03-5 C₁₀H₉BrClNO₂ 
• 61610-51-3 4-chloro-3-oxo-N-(4-fluorophenyl)butaneamide 

Relevant articles and documents

Preparation method of ethyl 4-chloroacetoacetate

The invention discloses a preparation method of ethyl 4-chloroacetoacetate, which specifically comprises the following steps of: (1) chlorination: cooling dichloromethane for the first time, then adding acetyl ketene for cooling for the second time, then introducing chlorine gas, and keeping the temperature; (2) esterification: dropwise adding absolute ethyl alcohol, and keeping the temperature; (3) desolvation and deacidification: heating and distilling to remove dichloromethane and hydrogen chloride; and (4) rectification: rectifying and purifying to obtain the product. Acetyl ketene is used as a raw material, the raw material is low in cost and easy to obtain, the synthesis steps are simple, and the production cost is reduced; by optimizing the ratio of process materials, the selectivity of the product ethyl 4-chloroacetoacetate is improved, and the yield is increased; and through high-vacuum low-temperature distillation, the decomposition of the heat-sensitive product ethyl 4-chloroacetoacetate is effectively prevented, and the yield and the product quality are improved.

Continuous device and method for industrial production 4 - chloroacetoacetate

The invention relates to an industrial production 4 - chloroacetoacetate continuous device and a method. The device and method can inhibit the generation of byproduct 2 - chloroacetoacetate and 4 - chloroacetoacetate in 2 - chloroacetoacetate crude product can be controlled below 0.15%. The yield of 4 - chloroacetoacetate can be improved, and the yield 4 - chloroacetoacetate can reach 97% or more. The continuous device and the method provided by the invention can be operated continuously, 4 - chloroacetoacetate can be industrially produced, and the continuous device has remarkable economic value.

Study of thiazoline derivatives for the design of optimal fungicidal compounds using multiple linear regression (MLR)

Rice blast is the most serious disease of rice due to its harmfulness and its world wide distribution. Magnaporthe grisea is the cause of rice blast disease and destroys rice enough to feed several tens of millions of people each year. Fungicides are commonly used to control rice blast. But M. grisea acquires resistance to chemical treatments by genetic mutations. 2-Phenylimino-1,3-thiazolines were proposed as a novel class of fungicides against M. grisea in the previous study. To develop compounds with a higher biological activity, a new series of 2-phenylimino-1,3-thiazolines was synthesized and its fungicidal activity was determined against M. grisea. The QSAR analysis was carried out on a series of 2-phenylimino-1,3-thiazolines. The QSAR results showed the dependence of fungicidal activity on the structural and physicochemical features of 2-phenylimino- 1,3-thiazolines. Our results could be used as guidelines for the study of the mode of action and further design of optimal fungicides. Copyright