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(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol is a chiral chemical compound with the molecular formula C9H10ClFO. It features a stereocenter at the first carbon, indicated by the (1S) designation, and is characterized by the presence of a chlorinated alcohol group and a fluorophenyl group attached to the first carbon. This unique structure endows it with potential biological activity and makes it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals.

200004-40-6

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200004-40-6 Usage

Uses

Used in Pharmaceutical Synthesis:
(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique chemical structure allows it to be a key component in the development of new medications, contributing to the advancement of healthcare.
Used in Agrochemical Development:
In the agrochemical industry, (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol serves as an intermediate in the creation of pesticides and other agricultural chemicals. Its role in these products is crucial for enhancing crop protection and ensuring food security.
Used in Medicinal Chemistry Research:
(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol is utilized in the field of medicinal chemistry for research and development purposes. Its potential biological activity and unique stereochemistry make it an important compound for studying molecular interactions and identifying new drug targets.
Used in Drug Development:
Owing to its potential biological activity, (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol is used in the development of new drugs. Its unique chemical structure and stereochemistry play a significant role in understanding its mechanism of action and its interaction with biological targets, which is essential for the creation of effective treatments.

Check Digit Verification of cas no

The CAS Registry Mumber 200004-40-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,0,0,0 and 4 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 200004-40:
(8*2)+(7*0)+(6*0)+(5*0)+(4*0)+(3*4)+(2*4)+(1*0)=36
36 % 10 = 6
So 200004-40-6 is a valid CAS Registry Number.
InChI:InChI=1/C9H10ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2/t9-/m0/s1

200004-40-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (S)-3-chloro-1-(4-fluorophenyl)-1-propanol

1.2 Other means of identification

Product number -
Other names Benzenemethanol,a-(2-chloroethyl)-4-fluoro-, (aS)-

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:200004-40-6 SDS

200004-40-6Relevant academic research and scientific papers

A convenient enantioselective CBS-reduction of arylketones in flow-microreactor systems

De Angelis, Sonia,De Renzo, Maddalena,Carlucci, Claudia,Degennaro, Leonardo,Luisi, Renzo

supporting information, p. 4304 - 4311 (2016/05/24)

A convenient, versatile, and green CBS-asymmetric reduction of aryl and heteroaryl ketones has been developed by using the microreactor technology. The study demonstrates that it is possible to handle borane solution safely within microreactors and that the reaction performs well using 2-MeTHF as a greener solvent.

Lipase-catalyzed synthesis of both enantiomers of 3-chloro-1-arylpropan-1- ols

Pop, Laura Ancua,Czompa, Andrea,Paizs, Csaba,Toa, Monica Ioana,Vass, Elemer,Matyus, Peter,Irimie, Florin-Dan

, p. 2921 - 2928 (2011/10/13)

The lipase-catalyzed synthesis of both enantiomers of 3-chloro-1-(4- fluorophenyl)propan-1-ol, 3-chloro-1-(4-iodophenyl)propan-1-ol, and 3-chloro-1-phenylpropan-1-ol is described. The procedure is based on the enantiomer-selective acylation of the racemic alcohols in presence of lipase from Pseudomonas fluorescens (LAK) followed by the lipase from Candida rugosa (CRL) mediated hydrolysis of previously obtained enantiomerically enriched 1-aryl-3-chloropropyl esters. For the production of enantiopure (S)-1-aryl-3-chloropropan-1-ols (99% ee, 34-42% yield) the reactions were stopped at higher conversions than the theoretical optimum of 50%, while for enantiopure (R)-1-aryl-3-chloropropyl acetates (99% ee) the reactions were stopped at lower conversions. The latter compounds were enzymatically hydrolyzed into the corresponding (R)-1-aryl-3-chloropropan-1-ols (97-99% ee, 18-24% yield). The absolute configuration of the resolution products was determined by VCD measurements combined with quantum chemical calculations. Georg Thieme Verlag Stuttgart - New York.

PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE

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Page/Page column 42-43, (2010/04/30)

Piperidine compounds and pharmaceutically useful salts thereof, a pharmaceutical composition including an effective amount of the racemic or enantiomerically enriched piperidine compounds to treat gastrointestinal diseases, and a method of treating gastro

Ezetimibe analogs with a reorganized azetidinone ring: Design, synthesis, and evaluation of cholesterol absorption inhibitions

Xu, Xianxiu,Fu, Renzhong,Chen, Jin,Chen, Shengwu,Bai, Xu

, p. 101 - 104 (2007/10/03)

The underlying principle of drug design in this paper is that the maximum retention of the functional groups that exist in the marketed drug would provide a higher probability for comparable safety while the conformational changes in the newly created ana

BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS

-

Page/Page column 198, (2008/06/13)

The invention relates to a chemical genus of 4-biphenyl-1-phenylazetidin-2-ones useful in the treatment of hypercholesterolemia and other disorders. The compounds have the general formula (I). Pharmaceutical compositions and methods for treating cholesterol- and lipid-associated diseases are also disclosed.

Asymmetric Synthesis of 2-Aryl Substituted Oxetanes by Enantioselective Reduction of β-Halogenoketones using Lithium Borohydride modified with N,N'-Dibenzoylcystine

Soai, Kenso,Niwa, Seiji,Yamanoi, Takashi,Hikima, Hitoshi,Ishizaki, Miyuki

, p. 1018 - 1019 (2007/10/02)

Optically active 2-aryl substituted oxetanes are synthesised in high enantiomeric excesses (up to 89percent e.e.) via enantioselective reduction of β-halogenoketones with lithium borohydride using (R,R')-N,N'-dibenzoylcystine and t-butyl alcohols as ligands.

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