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3-Chlorophenethylalcohol, also known as 3-CPA, is a chlorinated aromatic alcohol with the molecular formula C8H9ClO. It is a colorless liquid that exhibits a slightly floral odor. 3-CHLOROPHENETHYLALCOHOL is recognized for its antimicrobial properties and is considered relatively safe for use in consumer products when adhering to regulatory guidelines. Its potential applications extend beyond fragrances to include pharmaceuticals and agrochemicals.

41904-40-9

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41904-40-9 Usage

Uses

Used in Fragrance Industry:
3-CPA is used as a fragrance ingredient for its slightly floral scent, contributing to the production of perfumes and cosmetics.
Used in Antiseptic and Disinfectant Products:
Leveraging its antimicrobial properties, 3-CPA is used as an active ingredient in antiseptic and disinfectant products to prevent the growth of harmful microorganisms.
Used in Pharmaceuticals:
Due to its antimicrobial characteristics, 3-CPA has potential applications in the pharmaceutical industry, where it could be utilized in the development of new medications.
Used in Agrochemicals:
3-CPA's pesticidal properties make it a candidate for use in agrochemicals, potentially contributing to the development of pesticides for agricultural use.

Check Digit Verification of cas no

The CAS Registry Mumber 41904-40-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,1,9,0 and 4 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 41904-40:
(7*4)+(6*1)+(5*9)+(4*0)+(3*4)+(2*4)+(1*0)=99
99 % 10 = 9
So 41904-40-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H7ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,5-6H,4H2

41904-40-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3-chlorophenyl)acetaldehyde

1.2 Other means of identification

Product number -
Other names 2-(3-chlorophenyl)-acetaldehyde

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:41904-40-9 SDS

41904-40-9Relevant academic research and scientific papers

INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION

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Paragraph 001074-001075; 01111-001113; 001648-001649, (2021/10/15)

Compounds of Formula (I) and methods of inhibiting the replication of viruses in a biological sample or patient, of reducing the amount of viruses in a biological sample or patient, and of treating a virus infection in a patient, comprising administering to said biological sample or patient an effective amount of a compound represented by Formula (I), a compound of Table A or B or a pharmaceutically acceptable salt thereof.

Two-way homologation of aliphatic aldehydes: Both one-carbon shortening and lengthening via the same intermediate

Yoo, Jae Won,Seo, Youngran,Park, Jong Beom,Kim, Young Gyu

, (2020/01/13)

Aliphatic aldehydes can be homologated to both one-carbon shorter and one-carbon longer homologous carbonyl compounds through the 2–4 steps of reactions via the same intermediates, β,γ-unsaturated α-nitrosulfones, prepared from the proline-catalyzed sequential reactions of several aliphatic aldehydes with phenylsulfonylnitromethane. While the oxidative cleavage of the key intermediates gave one-carbon less homologous carbonyl compounds, the reduction of the same key intermediates followed by an oxidation produced one-carbon more homologous carbonyl compounds.

Peroxygenase-Catalysed Epoxidation of Styrene Derivatives in Neat Reaction Media

Alcalde, Miguel,Arends, Isabel W. C. E.,Hollmann, Frank,Paul, Caroline E.,Rauch, Marine C. R.,Tieves, Florian

, (2019/08/30)

Biocatalytic oxyfunctionalisation reactions are traditionally conducted in aqueous media limiting their production yield. Here we report the application of a peroxygenase in neat reaction conditions reaching product concentrations of up to 360 mM.

Application of an electron-transfer catalyst in light-induced aerobic oxidation of alcohols

Guo, Rui-Yun,Sun, Li,Pan, Xin-Yi,Yang, Xiao-Dong,Ma, Shuai,Zhang, Jie

, p. 12614 - 12617 (2018/11/20)

The first heterogeneous photocatalysis system including a bipyridinium-based complex as the electron-transfer catalyst was developed for aerobic oxidation of alcohols without the use of any noble-metal, external N-oxide or peroxide co-oxidant. The current work provides an efficient strategy for alcohol oxidation through a cost-effective, convenient and eco-friendly route.

Synthesis of Substrates for Aldolase-Catalysed Reactions: A Comparison of Methods for the Synthesis of Substituted Phenylacetaldehydes

Al-Smadi, Derar,Enugala, Thilak Reddy,Norberg, Thomas,Kihlberg, Jan,Widersten, Mikael

supporting information, p. 1187 - 1190 (2018/03/26)

Methods for the synthesis of phenylacetaldehydes (oxidation, one-carbon chain extension) were compared by using the synthesis of 4-methoxyphenylacetaldehyde as a model example. Oxidations of 4-methoxyphenylethanol with activated DMSO (Swern oxidation) or manganese dioxide gave unsatisfactory results; whereas oxidation with 2-iodoxybenzoic acid (IBX) produced 4-methoxyphenylacetaldehyde in reasonable (75%) yield. However, Wittig-type one-carbon chain extension with methoxymethylene-triphenylphosphine followed by hydrolysis gave an excellent (81% overall) yield of 4-methoxyphenylacetaldehyde from 4-methoxybenzaldehyde (a cheap starting material). This approach was subsequently used to synthesise a set of 10 substituted phenylacetaldehydes in good to excellent yields.

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.

Synthesis of a novel six membered CNS palladacycle; TD-DFT study and catalytic activity towards microwave-assisted selective oxidation of terminal olefin to aldehyde

Sarma, Kuladip,Devi, Namita,Sutradhar, Dipankar,Sarma, Bipul,Chandra, Asit K.,Barman, Pranjit

, p. 20 - 28 (2016/08/24)

This article documented synthesis of a Schiff base, E-2-(benzylthio)-N-{(2-methoxynaphthalene-1-yl)methylene}benzenamine (HL) by the treatment of 2-meyhoxynaphthaldehyde and 2-(benzylthio)aniline. Reaction of this synthesized Schiff base with Na2PdCl4has been investigated, which gave a novel six membered Pd(II) complex (PdLCl) through C,N,S-donor atom of Schiff base. These two newly synthesized compounds were characterized by1H NMR, FTIR and UV–Vis spectra and structure of the Pd(II) complex was confirmed by X-ray crystallography. The catalyst (PdLCl) displayed considerable reactivity (up to 99% selectivity and 90% yield) in the selective oxidation of terminal [Formula presented] bond in aryl substituted olefin to aldehyde. The method shows good functional groups compatibility, no ketone byproducts and is operationally simple. Time dependent density functional study (TD-DFT) of representative cyclopalladated complex has been undertaken. The simulated optical spectrum of the complex is in good agreement with the experimentally observed spectrum.

Efficient epoxide isomerization within a self-assembled hexameric organic capsule

Caneva, Thomas,Sperni, Laura,Strukul, Giorgio,Scarso, Alessandro

, p. 83505 - 83509 (2016/11/01)

The isomerization of epoxides to the corresponding carbonyl compounds is efficiently catalyzed by the supramolecular organic nano-capsule formed by the self-assembly of six resorcin[4]arene units. The capsule provides a combination of weak Br?nsted acidity and a suitable nano-environment that favors the metal-free isomerization reaction.

Hypoiodite-catalyzed regioselective oxidation of alkenes: An expeditious access to aldehydes in aqueous micellar media

Swamy, Peraka,Reddy, Marri Mahender,Naresh, Mameda,Kumar, Macharla Arun,Srujana, Kodumuri,Durgaiah, Chevella,Narender, Nama

, p. 1125 - 1130 (2015/04/22)

A highly anti-Markovnikov selective oxidation of alkenes based on in situ generated hypoiodite catalysis in aqueous micellar media under mild conditions has been described. This novel catalytic system realizes an efficient synthesis of aldehydes from alkenes in an economically viable and environmentally safe fashion. The preliminary mechanistic studies suggest that the reaction proceeds via tandem iodofunctionalization/1,2-aryl or alkyl migration. The scope and limitations of this tandem process are demonstrated with various mono- and disubstituted (terminal and internal) olefins.

2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION

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Paragraph 0081, (2015/08/04)

Various 2-aminoquinoline compounds as can be used, in vivo or in vitro, for selective inhibition of neuronal nitric oxide synthase.

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