67864-02-2

Basic information

• Product Name: 2-Buten-1-one, 1-(4-chlorophenyl)-
• CAS NO: 67864-02-2
• Molecular Formula: C10H9ClO
• Molecular Weight: 180.634
• Mol File: 67864-02-2.mol

Chemical Properties

• CAS DataBase Reference: 2-Buten-1-one, 1-(4-chlorophenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Buten-1-one, 1-(4-chlorophenyl)-(67864-02-2)
• EPA Substance Registry System: 2-Buten-1-one, 1-(4-chlorophenyl)-(67864-02-2)

Safety Data

• Hazardous Substances Data: 67864-02-2(Hazardous Substances Data)

Upstream product

• 98947-23-0 1-(4-chloro-phenyl)-2-diazo-butan-1-one 
• 99-91-2 para-chloroacetophenone 
• 75-07-0 acetaldehyde 
• 1777-56-6 4-chlorobenzoylmethylenetriphenylphosphorane 
• 122-01-0 4-chloro-benzoyl chloride 
• 762-72-1 allyl-trimethyl-silane 
• 1454846-23-1 C₁₃H₁₅ClOS₂ 
• 83392-36-3 methyl 3-(4-chlorophenyl)-3-oxopropanedithioate 
• 536-38-9 4-chlorobenzoylmethyl bromide 
• 2689-81-8 (4-chlorophenacyl)triphenylphosphonium bromide 

Downstream Products

• 328526-97-2 2-amino-6-(4-dimethylamino-phenyl)-4-methyl-nicotinonitrile 
• 6302-55-2 1-(4'-chlorophenyl)-1,3-butanedione 
• 1613249-77-6 C₁₄H₁₅ClO₂ 

Relevant articles and documents

Isotope Effects and the Mechanism of Photoredox-Promoted [2 + 2] Cycloadditions of Enones

13C kinetic isotope effects (KIEs) for the photoredox-promoted [2 + 2] cycloaddition of enones were determined in homocoupling and heterocoupling examples. The only significant KIEs were observed at the β carbon, indicating that Cβ-Cβ bond formation is irreversible. However, these KIEs were much lower than computational predictions, suggesting that product selectivity is determined in part by a step prior to Cβ-Cβ bond formation. The results are explained as arising from a competition between C-C bond formation and electron exchange between substrate alkenes. This idea is supported by a relatively small substituent effect on substrate selectivity. The possible rates for electron transfer and bond-forming steps are analyzed, and the competition appears plausible, particularly if the mechanism involves a complex between reduced and neutral enone molecules.

Method for preparing phenyl propenone compound by catalyzing phenylacetylene through molecular sieve

The invention belongs to the field of molecular sieve catalysis and organic synthesis, and discloses a method for preparing a phenyl propenone compound by catalyzing phenylacetylene through a molecular sieve, which comprises the following steps: adding a phenylacetylene compound I, aldehyde II and a molecular sieve catalyst into a small reaction kettle without adding an organic solvent and any other assistants; performing stirring to react for 0.25-6 hours under the condition of heating at 30-90 DEG C, cooling the reaction kettle to room temperature, performing diluting with ethyl acetate, andcentrifugally separating the catalyst to obtain the phenyl allyl ketone compound III. The molecular sieve catalyst provided by the invention is H-beta of which the silica-alumina ratios are respectively 14 and 29. The method is simple in reaction process, high in catalytic activity and selectivity, recyclable, environmentally friendly and capable of achieving large-scale industrial production.

Efficient and regioselective one-step synthesis of 7-aryl-5-methyl- and 5-aryl-7-methyl-2-amino-[1,2,4]triazolo[1,5-a] pyrimidine derivatives

Two facile and efficient one-step procedures for the regioselective synthesis of 7-aryl-5-methyl- and 5-aryl-7-methyl-2-amino-[1,2,4]triazolo[1,5-a]pyrimidines have been developed, via reactions of 3,5-diamino-1,2,4-triazole with variously substituted 1-a

Y(OTf)3 catalyzed substitution dependent oxidative C(sp 3)-C(sp3) cleavage and regioselective dehydration of β-allyl-β-hydroxydithioesters: Alternate route to α,β- unsaturated ketones and functionalized dienes

β-Allyl-β-hydroxydithioesters have been generated by the regioselective Grignard addition to the β-oxodithioesters. They have been successfully employed in selective C(sp3)-C(sp3) bond cleavage to construct α,β-unsaturated ketone res

A new organic transformation by introducing crotyl/allyltrifluoroborates in cross-coupling reaction with aroyl chlorides

Microwave irradiated PdCl2(dtbpf) catalyzed direct cross-coupling reaction of aroyl chlorides with potassium crotyl/ allyltrifluoroborates has been developed. Regioselectivity of the cross-coupling product is varied from crotyltrifluoroborate to allyltrifluoroborate.

InBr3-Catalyzed Alkynylation and Allylation of Acid Chlorides: A Facile Synthesis of Alkynyl and Allyl Ketones

Alkynylsilanes and allyltrimethylsilane undergo smooth coupling with acid chlorides in the presence of 5 mol% of indium tribromide under mild conditions to afford the corresponding α,β-acetylenic ketones and β,γ-unsaturated ketones in excellent yields in a short reaction time with high selectivity.

Structure-activity studies of 5-substituted pyridopyrimidines as adenosine kinase inhibitors

The synthesis and SAR of a novel series of non-nucleoside pyridopyrimidine inhibitors of the enzyme adenosine kinase (AK) are described. It was found that pyridopyrimidines with a broad range of medium and large non-polar substituents at the 5-position potently inhibited AK activity. A narrower range of analogues was capable of potently inhibiting adenosine phosphorylation in intact cells indicating an enhanced ability of these analogues to penetrate cell membranes. Potent AK inhibitors were found to effectively reduce nociception in animal models of thermal hyperalgesia and persistent pain. (C) 2000 Elsevier Science Ltd.