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

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 featuring 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 utilized in organic synthesis and pharmaceutical research due to its reactivity and potential pharmacological properties. Careful handling is advised due to its potential hazards and toxicity.

Uses

Used in Organic Synthesis:
[3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone is used as an intermediate in the synthesis of various organic compounds. Its unique structure allows for a range of reactions, making it a valuable building block in the creation of complex molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, [3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone is used as a starting material for the development of new drugs. Its reactivity and potential pharmacological properties make it a promising candidate for the creation of novel therapeutic agents.
Used in Chemical Research:
[3-(4-chlorophenyl)oxiran-2-yl](phenyl)methanone is also utilized in chemical research to study the properties and reactions of oxirane compounds and their derivatives. Understanding the behavior of such compounds can lead to advancements in material science and the development of new applications in various industries.

Upstream product

• 24721-26-4 4-chlorochalcone 
• 79963-45-4 2-chloro-3-(4'-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one 
• 591-51-5 phenyllithium 
• 873-76-7 para-Chlorobenzyl alcohol 
• 4636-16-2 iodoacetophenone 
• 104-88-1 4-chlorobenzaldehyde 
• 98-86-2 acetophenone 
• 100-52-7 benzaldehyde 
• 14531-55-6 3,5-dimethyl-4-nitro-1H-pyrazole 
• 6969-01-3 phenyl-3-(4-chlorophenyl)oxiran-2-ylmethanone 
• 70-11-1 α-bromoacetophenone 
• 956-04-7 3-(4-chlorophenyl)-1-phenylprop-2-en-1-one 
• 215924-30-4 trans-(2R,3S)-N,N-Diethyl-3-(4-chlorophenyl)-2,3-epoxypropionamide 
• 532-27-4 1-chloroacetophenone 

Downstream Products

• 17059-59-5 1-(4-chloro-phenyl)-3-phenyl-propane-1,3-dione 
• 856332-21-3 5-(4-chloro-phenyl)-3-phenyl-4,5-dihydro-isoxazol-4-ol 
• 67295-31-2 3-(4-chloro-phenyl)-2-hydroxy-3-morpholin-4-yl-1-phenyl-propan-1-one 
• 766-76-7 benzoate 
• 71-47-6 formate 
• 104-88-1 4-chlorobenzaldehyde 
• 269725-81-7 3-(p-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one 
• 79480-23-2 1-[4-Bromo-5-(4-chloro-phenyl)-3-phenyl-pyrazol-1-yl]-phthalazine 
• 1217439-18-3 C₂₃H₁₈ClNO₂ 
• 6969-01-3 ((2R,3S)-3-(4-chlorophenyl)oxiran-2-yl) (phenyl)methanone 
• 54458-32-1 1-(4-chlorophenyl)-3-phenylpropane-1,2,3-trione 
• 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 

Relevant articles and documents

Asymmetric epoxidation of α,β-unsaturated ketones catalyzed by rare-earth metal amides RE[N(SiMe3)2]3with chiral TADDOL ligands

The catalytic asymmetric epoxidation of α,β-unsaturated ketones by tert-butylhydroperoxide (TBHP) has been well established using rare-earth metal amides RE[N(SiMe3)2]3 (RE = La(1), Nd(2), Sm(3), Y(4), Yb(5)) with chiral TADDOL ligands. It was found that

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.