45803-91-6

Basic information

• Product Name: Phenol, 2-chloro-4-ethenyl-
• Synonyms: Phenol, 2-chloro-4-ethenyl-
• CAS NO: 45803-91-6
• Molecular Formula: C8H7ClO
• Molecular Weight: 0
• Mol File: 45803-91-6.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Phenol, 2-chloro-4-ethenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 2-chloro-4-ethenyl-(45803-91-6)
• EPA Substance Registry System: Phenol, 2-chloro-4-ethenyl-(45803-91-6)

Safety Data

• Hazardous Substances Data: 45803-91-6(Hazardous Substances Data)

Upstream product

• 52507-43-4 3-chloro-4-hydroxycinnamic acid 
• 95-57-8 2-monochlorophenol 
• 113-24-6 sodium pyruvate 
• 2420-16-8 4-hydroxy-3-chlorobenzaldehyde 

Downstream Products

• 1427170-22-6 (S)-4-(1-hydroxyethyl)-2-chlorophenol 

Relevant articles and documents

Preparation method of 4-vinylphenol compound

The invention provides a preparation method of a 4-vinylphenol compound, which specifically comprises the following steps: preparing according to the following reaction formula: adding substituted p-hydroxycinnamic acid and a solvent N, N-dimethylformamide into a pressure-resistant reaction flask, heating and stirring to react for 30 minutes, and separating and purifying after the reaction is finished to obtain the 4-vinylphenol compound. According to the preparation method, DMF is used as a solvent, a catalyst is not needed, the reaction time is short (30 min), substrate universality is good, polymerization reaction is avoided, operation is easy, the production period and cost are greatly reduced, the average yield of the target compound is stable and can reach 96% to the maximum, a new method is provided for synthesis of the 4-vinylphenol compound, and a foundation is laid for large-scale production of products and improvement of production efficiency.

Multienzyme One-Pot Cascade for the Stereoselective Hydroxyethyl Functionalization of Substituted Phenols

The operability and substrate scope of a redesigned vinylphenol hydratase as a single biocatalyst or as part of multienzyme cascades using either substituted coumaric acids or phenols as stable, cheap, and readily available substrates are reported.

Vinylation of Unprotected Phenols Using a Biocatalytic System

Readily available substituted phenols were coupled with pyruvate in buffer solution under atmospheric conditions to afford the corresponding para-vinylphenol derivatives while releasing only one molecule of CO2 and water as the by-products. This transformation was achieved by designing a biocatalytic system that combines three biocatalytic steps, namely the C-C coupling of phenol and pyruvate in the presence of ammonia, which leads to the corresponding tyrosine derivative, followed by deamination and decarboxylation. The biocatalytic transformation proceeded with high regioselectivity and afforded exclusively the desired para products. This method thus represents an environmentally friendly approach for the direct vinylation of readily available 2-, 3-, or 2,3-disubstituted phenols on preparative scale (0.5 mmol) that provides vinylphenols in high yields (65-83%).

Asymmetric enzymatic hydration of hydroxystyrene derivatives

More than one activity: Owing to their hydratase activity, phenolic acid decarboxylases catalyze the regio- and stereoselective addition of H 2O across the C=C double bond of hydroxystyrene derivatives yielding (S)-4-(1-hydroxyethyl)phenols with up to 82 % conversion and 71 % ee. Based on structure analysis and molecular docking simulations, a catalytic mechanism for this novel enzymatic reaction is proposed. Copyright