21757-98-2

Basic information

• Product Name: 2-Butenoic acid, 3-(4-chlorophenyl)-, ethyl ester
• CAS NO: 21757-98-2
• Molecular Formula: C12H13ClO2
• Molecular Weight: 224.687
• Mol File: 21757-98-2.mol
• Article Data: 47

Chemical Properties

• CAS DataBase Reference: 2-Butenoic acid, 3-(4-chlorophenyl)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butenoic acid, 3-(4-chlorophenyl)-, ethyl ester(21757-98-2)
• EPA Substance Registry System: 2-Butenoic acid, 3-(4-chlorophenyl)-, ethyl ester(21757-98-2)

Safety Data

• Hazardous Substances Data: 21757-98-2(Hazardous Substances Data)

Upstream product

• 867-13-0 diethoxyphosphoryl-acetic acid ethyl ester 
• 99-91-2 para-chloroacetophenone 
• 1712-70-5 1-chloro-4-(1-methylethenyl)-benzene 
• 4755-77-5 Ethyl oxalyl chloride 
• 97025-43-9 ethyl 3-(toluene-4-sulfonyloxy)but-2-enoate 
• 1679-18-1 4-Chlorophenylboronic acid 
• 1474-78-8 triethyl phosphonoformate 
• 104-88-1 4-chlorobenzaldehyde 
• 106-39-8 bromochlorobenzene 
• 623-70-1 ethyl (E)-crotonate 
• 623-73-4 diazoacetic acid ethyl ester 
• 21133-98-2 ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate 
• 1195-42-2 N-cyclohexylisopropylamine 
• 57025-65-7 2-(trimethylsilyl)butanoic acid 

Downstream Products

• 1446100-81-7 3-(4-chlorophenyl)-3-methylindan-1-one 
• 1446100-82-8 3-(4-chlorophenyl)-3,6-dimethylindan-1-one 
• 1446100-84-0 3-(4-chlorophenyl)-5,6-dimethoxy-3-methylindan-1-one 
• 93404-36-5 (2E)-3-(4'-chlorophenyl)but-2-en-1-ol 
• 1134201-72-1 (-)-(R)-3-(4-methoxyphenyl)butan-1-ol 
• 81187-93-1 4-(4-chlorophenyl)-1,5-dihydro-2H-pyrrol-2-one 
• 1376710-77-8 (E)-3-(4-chlorophenyl)-N-methoxy-N-methylbut-2-enamide 
• 28094-77-1 5-chloro-3-(4-chlorophenyl)-1,1,3-trimethyl-2,3-dihydro-1H-indene 

Relevant articles and documents

Synthesis method of beta-chloro acid ester and alpha, beta-unsaturated acid ester compound

The invention belongs to the technical field of organic chemistry, and particularly relates to a synthesis method of beta-chloro acid ester and an alpha, beta-unsaturated acid ester compound. The structure of the compound is characterized by 1H NMR and 13C NMR and is confirmed. The method comprises the steps of by taking acetonitrile as a solvent, carrying out fragmentation on olefin, chlorooxalic acid monoester and 2, 6-dimethyl pyridine under a photocatalytic condition to generate an alkoxyacyl free radical intermediate, carrying out free radical addition reaction on the alkoxyacyl free radical intermediate and the olefin to generate carbon free radicals, then carrying out chlorination reaction to obtain the beta-chloro acid ester compound, and carrying out dehydrochlorination reaction under a DBU condition to generate the alpha, beta-unsaturated acid ester compound. The preparation method of the compound disclosed by the invention has the advantages of starting from olefin, being mild in condition, simple and efficient, strong in functional group compatibility and wide in substrate application range, and various beta-chloro acid ester and alpha, beta-unsaturated acid ester compounds can be synthesized from highly commercialized raw materials. On the basis of photoreaction of fluid chemistry, a target product can also be obtained with a relatively good yield, and the method has very good industrial and medicinal chemistry application values.

Palladium-Catalyzed Allyl-Allyl Reductive Coupling of Allylamines or Allylic Alcohols with H2as Sole Reductant

Catalytic carbon-carbon bond formation building on reductive coupling is a powerful method for the preparation of organic compounds. The identification of environmentally benign reductants is key for establishing an efficient reductive coupling reaction. Herein an efficient strategy enabling H2 as the sole reductant for the palladium-catalyzed allyl-allyl reductive coupling reaction is described. A wide range of allylamines and allylic alcohols as well as allylic ethers proceed smoothly to deliver the C-C coupling products under 1 atm of H2. Kinetic studies suggested that the dinuclear palladium species was involved in the catalytic cycle.

Metal-Free Hydropyridylation of Thioester-Activated Alkenes via Electroreductive Radical Coupling

An electrochemical hydropyridylation of thioester-activated alkenes with 4-cyanopyridines has been developed. The reactions experience a tandem electroreduction of both substrates on the cathode surface, protonation, and radical cross-coupling process, resulting in a variety of valuable pyridine variants, which contain a tertiary and even a quaternary carbon at the α-position of pyridines, in high yields. The employment of thioesters to the conjugated alkenes enables no requirement of catalyst and high temperature, representing a highly sustainable synthetic method.