5182-44-5

Basic information

• Product Name: 3-CHLOROPHENETHYLALCOHOL
• Synonyms: 3-CHLOROPHENETHYLALCOHOL;3-CHLORO-BETA-PHENETHYL ALCOHOL;M-CHLOROPHENETHYL ALCOHOL;2-(3-Chlorophenyl)ethanol;Phenethyl alcohol, m-chloro-;m-chlorophenethylic alcohol;3-CHLORO-SS-PHENETHYL ALCOHOL;3-CHLOROPHENETHYLALCOHOL 98%
• CAS NO: 5182-44-5
• Molecular Formula: C₈H₉ClO
• Molecular Weight: 156.61
• EINECS: 225-964-1
• Product Categories: Benzhydrols, Benzyl & Special Alcohols;Alcohols;Building Blocks;C7 to C8;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
• Mol File: 5182-44-5.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 135-137 °C13 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: Clear colorless to very slightly yellow/Liquid
• Density: 1.181 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00756mmHg at 25°C
• Refractive Index: n20/D 1.549(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 14.76±0.10(Predicted)
• BRN: 2042059
• CAS DataBase Reference: 3-CHLOROPHENETHYLALCOHOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLOROPHENETHYLALCOHOL(5182-44-5)
• EPA Substance Registry System: 3-CHLOROPHENETHYLALCOHOL(5182-44-5)

Safety Data

• Safety Statements: 23-24/25
• WGK Germany: 3
• Hazardous Substances Data: 5182-44-5(Hazardous Substances Data)

Usage

Description

3-Chlorophenethyl alcohol, also known as β-chlorophenethyl alcohol, is an organic compound that is characterized by its clear colorless to very slightly yellow liquid appearance. It is known for undergoing coupling reactions with dibutylamine, which makes it a versatile compound in various chemical and industrial applications.

Uses

Used in Pharmaceutical Industry:
3-Chlorophenethyl alcohol is used as an intermediate in the synthesis of various pharmaceutical compounds for its ability to undergo coupling reactions with dibutylamine. This property allows for the creation of a wide range of medications with different therapeutic effects.
Used in Chemical Synthesis:
In the chemical industry, 3-Chlorophenethyl alcohol is used as a building block for the synthesis of various organic compounds. Its reactivity in coupling reactions with dibutylamine makes it a valuable component in the production of complex molecules for different applications.
Used in Flavor and Fragrance Industry:
3-Chlorophenethyl alcohol is used as a component in the creation of artificial flavors and fragrances due to its unique chemical structure and properties. Its ability to undergo coupling reactions allows for the development of new and innovative scents for the perfume and food industries.
Used in Research and Development:
3-Chlorophenethyl alcohol is utilized in research and development settings to study the effects of coupling reactions with dibutylamine and other amines. This research can lead to the discovery of new compounds and applications in various fields, including pharmaceuticals, materials science, and environmental science.

InChI:InChI=1/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

Upstream product

• 53088-68-9 methyl 3-chlorophenylacetate 
• 1878-65-5 3-chlorophenylacetic acid 
• 2039-85-2 3-Chlorostyrene 
• 75-21-8 oxirane 
• 108-37-2 1-bromo-3-chlorobenzene 
• 766-83-6 m-chlorophenylacetylene 

Downstream Products

• 5182-43-4 1-chloro-3-(2-chloroethyl)benzene 
• 52059-56-0 N-Methyl-β-(m-chlorphenyl)-β'-phenyl-diaethylamin 
• 16799-05-6 2-(3-chlorophenyl)ethyl bromide 
• 26416-24-0 2-(m-chlorophenyl)ethyl tosylate 
• 89978-80-3 1-chloro-3-(2-iodoethyl)benzene 
• 41904-40-9 2-(3-chlorophenyl)acetaldehyde 
• 928776-09-4 4-[2-(3-chloro-phenyl)-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 

Relevant articles and documents

New class of 2-Aryl-6-chloro-3,4-dihydroisoquinolinium salts as potential antifungal agents for plant protection: Synthesis, bioactivity and structure-activity relationships

Thirty-four new 2-aryl-6-chloro-3,4-dihydroisoquinolin-2-ium bromides were synthesized, and their structures were elucidated by spectroscopic analysis. Antifungal activities against Alternaria alternate, Curvularia lunata and Valsa mali were evaluated by

Anti-Markovnikov alkene oxidation by metal-oxo–mediated enzyme catalysis

Catalytic anti-Markovnikov oxidation of alkene feedstocks could simplify synthetic routes to many important molecules and solve a long-standing challenge in chemistry. Here we report the engineering of a cytochrome P450 enzyme by directed evolution to catalyze metal-oxo–mediated anti-Markovnikov oxidation of styrenes with high efficiency. The enzyme uses dioxygen as the terminal oxidant and achieves selectivity for anti-Markovnikov oxidation over the kinetically favored alkene epoxidation by trapping high-energy intermediates and catalyzing an oxo transfer, including an enantioselective 1,2-hydride migration. The anti-Markovnikov oxygenase can be combined with other catalysts in synthetic metabolic pathways to access a variety of challenging anti-Markovnikov functionalization reactions.

Preparation method for hemihydrate lorcaserin hydrochloride

The invention discloses a preparation method for hemihydrate lorcaserin hydrochloride. The preparation method comprises the following steps: (1) making a compound shown as a formula III react with ammonia to obtain a compound shown as a formula II; (2) under the protection of nitrogen gas, dissolving the compound shown as the formula II in an organic solvent, adding a hydrogen chloride solution of which the solvent is the organic solvent to salify, and adding water and cyclohexane to form a hemihydrate in order to obtain the compound shown as a formula I, wherein the organic solvent is isopropanol or 1,4-dioxane. In the preparation method disclosed by the invention, ammonium hydroxide substitutes for potassium carbonate in the prior art, so that unqualified ignition residues of a finial product caused by potassium chloride generated after salt removal can be avoided; an isopropoxide hydrochloride solution substitutes for the conventional hydrogen chloride gas, so that other impurities can be prevented from being introduced in a preparation process under the improper control of dosage and rate of the gas.