67829-05-4

Basic information

• Product Name: Ethanone, 1-(3-chlorophenyl)-2-hydroxy-
• CAS NO: 67829-05-4
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Mol File: 67829-05-4.mol
• Article Data: 23

Chemical Properties

• CAS DataBase Reference: Ethanone, 1-(3-chlorophenyl)-2-hydroxy-(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(3-chlorophenyl)-2-hydroxy-(67829-05-4)
• EPA Substance Registry System: Ethanone, 1-(3-chlorophenyl)-2-hydroxy-(67829-05-4)

Safety Data

• Hazardous Substances Data: 67829-05-4(Hazardous Substances Data)

Upstream product

• 2039-85-2 3-Chlorostyrene 
• 99-02-5 3'-Chloroacetophenone 
• 587-04-2 m-Chlorobenzaldehyde 
• 298-12-4 Glyoxilic acid 
• 67-56-1 methanol 
• 20697-04-5 3-chlorostyrene oxide 
• 41011-01-2 2-bromo-1-(3-chloro-phenyl)-ethanone 
• 124-41-4 sodium methylate 
• 21886-56-6 3-chlorophenacyl chloride 
• 87992-00-5 2-(3-chlorophenyl)-2-oxoethyl acetate 

Downstream Products

• 535-80-8 3-chlorobenzoate 
• 50-00-0 formaldehyd 
• 2905-65-9 methyl 3-chlorobenzoate 
• 152008-72-5 (S)-(+)-1-(3-chlorophenyl)-1,2-ethanediol 
• 80051-04-3 (R)-(-)-1-(3-chlorophenyl)-1,2-ethanediol 
• 595597-07-2 4-(3-chlorophenyl)-4-oxazoline-2-one 

Relevant articles and documents

One-Pot Enzymatic-Chemical Cascade Route for Synthesizing Aromatic α-Hydroxy Ketones

2-Hydroxyacetophenone (2-HAP) is an important building block for the production of a series of natural products and pharmaceuticals; however, there is no safe, efficient, and economical method for 2-HAP synthesis. Here, a one-pot enzymatic-chemical cascade route was designed for synthesizing 2-HAP based on retrosynthetic analysis. First, a spontaneous proton-transfer reaction was designed using a computational simulation that enabled 2-HAP synthesis from the isomer 2-hydroxy-2-phenylacetaldehyde. A route for 2-hydroxy-2-phenylacetaldehyde synthesis was then constructed by introducing the unnatural substrate glyoxylic acid into a C-C ligation reaction catalyzed by Candida tropicalis pyruvate decarboxylase. Assembly and optimization of this enzymatic-chemical cascade route resulted in a final yield of 92.7%. Furthermore, stereospecific carbonyl reductases were introduced to construct a synthetic application platform that enabled further transformation of 2-HAP into (S)- and (R)-1-phenyl-1,2-ethanediol. This method of cascading spontaneous chemical and enzymatic reactions to synthesize chemicals offers insight into avenues for synthesizing other valuable chemicals.

Palladium-Catalyzed [5 + 2] Annulation of Vinylethylene Carbonates with Barbiturate-Derived Alkenes

A palladium/XantPhos-catalyzed [5 + 2] annulation of VECs with electron-deficient alkenes having an isolated carbon-carbon double bond has been developed to afford spirobarbiturate-tetrahydrooxepines. This study provides an expedient assembly of biologically interesting spirobarbiturate-tetrahydrooxepines. The easy scalability and versatile transformability of the reaction products were also exhibited.

Spiro[indene-1,4′-oxa-zolidinones] Synthesis via Rh(III)-Catalyzed Coupling of 4-Phenyl-1,3-oxazol-2(3 H)-ones with Alkynes: A Redox-Neutral Approach

Transition-metal-catalyzed C-H activation synthesis of heterocyclic spiro[4,4]nonanes has persistently witnessed the use of additional stoichiometric transition-metal oxidant when employing C=C bond as the spiro ring closure site. Herein, we have addressed the issue by reporting a redox-neutral strategy for spiro[indene-1,4′-oxa-zolidinones] synthesis via Rh(III)-catalyzed coupling of 4-phenyl-1,3-oxazol-2(3H)-ones with alkynes. The synthesis features a broad substrate scope and high regiospecificity.