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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.

5182-44-5

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5182-44-5 Usage

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.

Check Digit Verification of cas no

The CAS Registry Mumber 5182-44-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,8 and 2 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5182-44:
(6*5)+(5*1)+(4*8)+(3*2)+(2*4)+(1*4)=85
85 % 10 = 5
So 5182-44-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

5182-44-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Chlorophenethylalcohol

1.2 Other means of identification

Product number -
Other names 2-(3-Chlorophenyl)ethanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5182-44-5 SDS

5182-44-5Relevant academic research and scientific papers

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

Yang, Rui,Gao, Zhao-Feng,Zhao, Jie-Yu,Li, Wei-Bo,Zhou, Le,Miao, Fang

, p. 1906 - 1914 (2015)

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

Biocatalytic Formal Anti-Markovnikov Hydroamination and Hydration of Aryl Alkenes

Wu, Shuke,Liu, Ji,Li, Zhi

, p. 5225 - 5233 (2017/08/17)

Biocatalytic anti-Markovnikov alkene hydroamination and hydration were achieved based on two concepts involving enzyme cascades: epoxidation-isomerization-amination for hydroamination and epoxidation-isomerization-reduction for hydration. An Escherichia coli strain coexpressing styrene monooxygenase (SMO), styrene oxide isomerase (SOI), ω-transaminase (CvTA), and alanine dehydrogenase (AlaDH) catalyzed the hydroamination of 12 aryl alkenes to give the corresponding valuable terminal amines in high conversion (many ≥86%) and exclusive anti-Markovnikov selectivity (>99:1). Another E. coli strain coexpressing SMO, SOI, and phenylacetaldehyde reductase (PAR) catalyzed the hydration of 12 aryl alkenes to the corresponding useful terminal alcohols in high conversion (many ≥80%) and very high anti-Markovnikov selectivity (>99:1). Importantly, SOI was discovered for stereoselective isomerization of a chiral epoxide to a chiral aldehyde, providing some insights on enzymatic epoxide rearrangement. Harnessing this stereoselective rearrangement, highly enantioselective anti-Markovnikov hydroamination and hydration were demonstrated to convert α-methylstyrene to the corresponding (S)-amine and (S)-alcohol in 84-81% conversion with 97-92% ee, respectively. The biocatalytic anti-Markovnikov hydroamination and hydration of alkenes, utilizing cheap and nontoxic chemicals (O2, NH3, and glucose) and cells, provide an environmentally friendly, highly selective, and high-yielding synthesis of terminal amines and alcohols.

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

Hammer, Stephan C.,Kubik, Grzegorz,Watkins, Ella,Huang, Shan,Minges, Hannah,Arnold, Frances H.

, p. 215 - 218 (2017/10/19)

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.

Antiproliferative activity and SARs of caffeic acid esters with mono-substituted phenylethanols moiety

Xie, Jin,Yang, Fengzhi,Zhang, Man,Lam, Celine,Qiao, Yixue,Xiao, Jia,Zhang, Dongdong,Ge, Yuxuan,Fu, Lei,Xie, Dongsheng

, p. 131 - 134 (2016/12/27)

A series of CAPE derivatives with mono-substituted phenylethanols moiety were synthesized and evaluated by MTT assay on growth of 4 human cancer cell lines (Hela, DU-145, MCF-7 and ECA-109). The substituent effects on the antiproliferative activity were systematically investigated for the first time. It was found that electron-donating and hydrophobic substituents at 2′-position of phenylethanol moiety could significantly enhance CAPE's antiproliferative activity. 2′-Propoxyl derivative, as a novel caffeic acid ester, exhibited exquisite potency (IC50?=?0.4?±?0.02 & 0.6?±?0.03?μM against Hela and DU-145 respectively).

Preparation method for hemihydrate lorcaserin hydrochloride

-

Paragraph 0113; 0114, (2017/08/28)

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.

Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes

Li, Le,Herzon, Seth B.

, p. 22 - 27 (2014/01/17)

There is currently great interest in the development of multistep catalytic processes in which one or several catalysts act sequentially to rapidly build complex molecular structures. Many enzymes - often the inspiration for new synthetic transformations - are capable of processing a single substrate through a chain of discrete, mechanistically distinct catalytic steps. Here, we describe an approach to emulate the efficiency of these natural reaction cascades within a synthetic catalyst by the temporal separation of catalytic activities. In this approach, a single catalyst exhibits multiple catalytic activities sequentially, allowing for the efficient processing of a substrate through a cascade pathway. Application of this design strategy has led to the development of a method to effect the anti-Markovnikov (linear-selective) reductive functionalization of terminal alkynes. The strategy of temporal separation may facilitate the development of other efficient synthetic reaction cascades.

NOVEL TRPV3 MODULATORS

-

Paragraph 1585; 1586, (2013/06/04)

Disclosed herein are modulators of TRPV3 of formula (II): wherein G1, X1, X2, X3, X4, X5, G2, Ra, Rb, and u are as defined in the specification. Composition

NOVEL TRPV3 MODULATORS

-

Paragraph 112; 113, (2013/05/21)

Disclosed herein are modulators of TRPV3 of formula (II): wherein G1, X1, X2, X3, X4, X5, G2, Ra, Rb, and u are as defined in the specification. Composition

Enantioselective hydrosilylation of aromatic alkenes catalyzed by chiral bis(oxazolinyl)phenyl-rhodium acetate complexes

Naito, Tatsuo,Yoneda, Takuma,Ito, Jun-Ichi,Nishiyama, Hisao

, p. 2957 - 2960 (2013/02/22)

Highly efficient and enantioselective hydrosilylation of aromatic alkenes catalyzed by the chiral rhodium acetate complexes with the bis(oxazolinyl)phenyl ligands has been reported that afforded chiral silane derivatives with up to 99% ee. Georg Thieme Ve

Design and synthesis of phenethyl benzo[1,4]oxazine-3-ones as potent inhibitors of PI3Kinaseγ

Lanni Jr., Thomas B.,Greene, Keri L.,Kolz, Christine N.,Para, Kimberly S.,Visnick, Melean,Mobley, James L.,Dudley, David T.,Baginski, Theodore J.,Liimatta, Marya B.

, p. 756 - 760 (2007/10/03)

The Type 1 PI3Kinases comprise a family of enzymes, which primarily phosphorylate PIP2 to give the second messenger PIP3, a key player in many intracellular signaling processes [Science, 2002, 296, 1655; Trends Pharmacol. Sci. 2003, 24, 366]. Of the four type 1 PI3Ks, the γ-isoform, which is expressed almost exclusively in leukocytes [Curr. Biol., 1997, 7, R470], is of particular interest with respect to its role in inflammatory diseases such as rheumatoid arthritis (RA) and chronic obstructive pulmonary disease (COPD) [Mol. Med. Today, 2000, 6, 347]. Investigation of a series of 4,6-disubstituted-4H-benzo[1,4]oxazin-3-ones has led to the identification of single-digit nanomolar inhibitors of PI3Kγ, several of which had good cell based activity and were shown to be active in vivo in an aspectic peritonitis model of inflammatory cell migration.

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