6969-01-3

Basic information

• Product Name: [3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone
• CAS NO: 6969-01-3
• Molecular Formula: C₁₅H₁₁ClO₂
• Molecular Weight: 258.6996
• Mol File: 6969-01-3.mol
• Article Data: 110

Chemical Properties

• Boiling Point: 400.7°C at 760 mmHg
• Flash Point: 167°C
• Density: 1.31g/cm³
• Vapor Pressure: 1.25E-06mmHg at 25°C
• Refractive Index: 1.625
• CAS DataBase Reference: [3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone(CAS DataBase Reference)
• NIST Chemistry Reference: [3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone(6969-01-3)
• EPA Substance Registry System: [3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone(6969-01-3)

Safety Data

• Hazardous Substances Data: 6969-01-3(Hazardous Substances Data)

Usage

General Description

[3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone, also known as 4'-chloro-α-ethylbenzhydrol, is a chemical compound with the molecular formula C14H11ClO2. It is an oxirane compound with a phenyl group attached to the oxirane ring and a ketone group attached to the phenyl group. [3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone is often used in organic synthesis and pharmaceutical research due to its reactivity and potential pharmacological properties. It is important to handle this chemical with care due to its potential hazards and toxicity.

Upstream product

• 22966-22-9 (E)-1-(4-chlorophenyl)-3-phenyl-2-propen-1-one 
• 24721-26-4 4-chlorochalcone 
• 591-51-5 phenyllithium 
• 215924-30-4 trans-(2R,3S)-N,N-Diethyl-3-(4-chlorophenyl)-2,3-epoxypropionamide 
• 79963-45-4 2-chloro-3-(4'-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one 
• 104-88-1 4-chlorobenzaldehyde 
• 70-11-1 α-bromoacetophenone 
• 100-42-5 styrene 
• 532-27-4 1-chloroacetophenone 
• 873-76-7 para-Chlorobenzyl alcohol 
• 4636-16-2 iodoacetophenone 
• 98-86-2 acetophenone 
• 1073-67-2 4-vinylbenzyl chloride 
• 100-52-7 benzaldehyde 

Downstream Products

• 856332-21-3 5-(4-chloro-phenyl)-3-phenyl-4,5-dihydro-isoxazol-4-ol 
• 106002-83-9 3-(4-chloro-phenyl)-1-phenyl-propane-1,2-dione 
• 106002-78-2 erythro-N-(2-benzoyl-1-p-chlorophenyl-2-chloroethyl)-S-isopropyl thiocarbamate 
• 106002-77-1 erythro-N-(2-benzoyl-1-p-chlorophenyl-2-chloroethyl)-S-ethyl thiocarbamate 
• 269725-81-7 3-(p-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one 
• 6332-85-0 5-(4-chloro-benzyl)-5-phenyl-imidazolidine-2,4-dione 
• 78794-65-7 1-(p-sulfamylphenyl)-5-(p-chlorophenyl)-4-hydroxy-3-phenylpyrazole 
• 78794-85-1 C₂₄H₂₃ClN₄O₄S 
• 78794-88-4 C₂₄H₂₃ClN₄O₃S₂ 
• 78794-87-3 C₂₈H₂₃ClN₄O₄S 
• 78794-89-5 C₂₈H₂₉ClN₄O₃S₂ 

Relevant articles and documents

Asymmetric Epoxidation of Enones Promoted by Dinuclear Magnesium Catalyst

Asymmetric synthesis with cheaper and non-toxic alkaline earth metal catalysts is becoming an important and sustainable alternative to conventional catalytic methodologies mostly relying on precious metals. In spite of some sustainable methods for enantioselective epoxidation of enones, the development of a well-defined and efficient catalyst based on magnesium complexes for these reactions is still a challenging task. In this perspective, we present the application of chiral dinuclear magnesium complexes for asymmetric epoxidation of a broad range of electron-deficient enones. We demonstrate that the in situ generated magnesium-ProPhenol complex affords enantioenriched oxiranes in high yields and with excellent enantioselectivities (up to 99% ee). Our extensive study verifies the literature data in this area and provides a step forward to better understand the factors controlling the oxygenation process. Elaborated catalyst offers mild reaction conditions and a truly wide substrate scope. (Figure presented.).

Synthesis and characterization of 1,3,5-triarylpyrazol-4-ols and 3,5-diarylisoxazol-4-ols from chalcones and theoretical studies of the stability of pyrazol-4-ol toward acid dehydration

The synthesis of diverse pyrazol-4-ol and isoxazole-4-ol heterocycles involving only 3 reaction steps is reported in this study. However, the synthesis of carboxamide pyrazol-4-ol has failed in the conditions used in the synthesis, acid methanol solution. The carboxamide pyrazol-4-ol decomposes via dehydration, forming the respective pyrazol. Theoretical calculations were used to elucidate the dehydration reaction. We have found a mechanism for acid-catalyzed dehydration that can explain the experimental observations. The calculated free energy profile for acid-catalyzed dehydration of the carboxamide pyrazol-4-ol and phenylpyrazole-4-ol point out that the latter is more stable in relation dehydration, with a dehydration rate 100 times smaller in acid methanol solution.

The Synthesis of Hydrobenzoin-Based Monoaza Crown Ethers and Their Application as Recyclable Enantioselective Catalysts

Abstract: New recyclable monoaza-15-crown ethers have been synthesized starting from (R,R)-(+)- and (S,S)-(?)-hydrobenzoin. These macrocycles proved to be efficient and reusable phase transfer catalysts in a few asymmetric reactions under mild conditions.