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4-(3,4-DICHLOROPHENYL)-4-PHENYLBUTYRIC ACID is an organic compound that serves as a crucial reactant in the synthesis of various pharmaceutical compounds. It is characterized by its chemical structure, which includes a butyric acid backbone with a 3,4-dichlorophenyl and a phenyl group attached to it.

79560-18-2

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79560-18-2 Usage

Uses

Used in Pharmaceutical Industry:
4-(3,4-DICHLOROPHENYL)-4-PHENYLBUTYRIC ACID is used as a reactant for the synthesis of (+)(-)-Sertraline (S280000), a selective serotonin reuptake inhibitor (SSRI). It plays a significant role in the development of antidepressant medications, which are essential for treating various mental health disorders, including depression and anxiety.
As an intermediate in the production of Sertraline, 4-(3,4-DICHLOROPHENYL)-4-PHENYLBUTYRIC ACID contributes to the overall effectiveness of the drug in modulating serotonin levels in the brain, thereby providing relief from depressive symptoms and improving the quality of life for patients suffering from these conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 79560-18-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,5,6 and 0 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 79560-18:
(7*7)+(6*9)+(5*5)+(4*6)+(3*0)+(2*1)+(1*8)=162
162 % 10 = 2
So 79560-18-2 is a valid CAS Registry Number.

79560-18-2SDS

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 4-(3,4-dichlorophenyl)-4-phenylbutanoic acid

1.2 Other means of identification

Product number -
Other names 4-(3,4-dichloro phenyl)-4-phenyl-butanoic acid

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:79560-18-2 SDS

79560-18-2Relevant academic research and scientific papers

α,α-Diarylethylene Glycols as Valuable Precursor for Synthesis of 1,1-Diarylethenes and α,α-Diaryl Acetaldehydes

Tiwari, Praveen Kumar,Sivaraman, Balasubramaniam,Aidhen, Indrapal Singh

supporting information, p. 3594 - 3605 (2017/07/22)

Towards assembling of diarylmethine unit present in biologically important molecules, we have developed a new Weinreb Amide (WA) based building block derived from glycolic acid. The WA functionality present in this building block permits the sequential addition of various arylmagnesium bromide reagents in a controlled manner that enables assembly of a diarylmethine unit. The developed synthetic route provides easy access to important diarylethenes and α,α-diarylethylene glycols. The synthesized α,α-diarylethylene glycols provide access to synthetically important symmetrical and unsymmetrical α,α-diaryl acetaldehydes as valuable intermediates.

Remarkable electronic effect on the diastereoselectivity of the Heck reaction of methyl cinnamate with arenediazonium salts: Formal total synthesis of (±)-indatraline and (±)-sertraline

Pastre, Julio Cezar,Correia, Carlos Roque Duarte

supporting information; experimental part, p. 1217 - 1223 (2009/12/24)

An efficient and stereoselective protocol for the preparation of β,β-disubstituted acrylates in good to high yields by means of a Heck-Matsuda arylation was accomplished. The method employs a base- and ligand-free Heck arylation reaction of methyl cinnamate using both electron-deficient and electron-rich arenediazonium salts as electrophiles. The Heck reaction displays a remarkable electronic dependence regarding the diastereoselectivity of the arylation process, which correlates with the electronic nature of the arenediazonium salts employed. A rationale for the observed diastereoselectivity is presented. The overall methodology provides a convenient route to 3-arylindanones and 4aryltetralones allowing the concise formal total syntheses of the therapeutically important psychoactive compounds (± )-indatraline and (± )-sertraline.

IMPROVED MANUFACTURING PROCEDURE FOR THE PREPARATION OF POLYMORPHIC FORM II OF CIS-(1S)-N-METHYL-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHLENEAMINE HYDROCHLORIDE (SERTRALINE HYDROCHLORIDE)

-

Page/Page column 21-22, (2008/06/13)

The present invention relates to the improved, scalable and efficient manufacturing procedure for the preparation of the antidepressant Cis-(1S)-N-Methyl-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-napthaleneamine hydro chloride, Sertraline Hydrochloride polymorphic form II. The present invention further relates to the improved and modified procedures for preparing, separating and isolating the key intermediates involved in the preparationof Sertraline Hydrochloride polymorphic form II. The present invention also further relates to the use of novel reagents or a combination thereof and new methodologies to prepare some o'f the key intermediates involved in the preparation of Polymorphic Form II of Sertraline Hydrochloride.

Synthesis of 4(S)-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone by SN2 cuprate displacement of an activated chiral benzylic alcohol

Quallich,Woodall

, p. 10239 - 10248 (2007/10/02)

Two routes for the preparation of 4(S)-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone are reported. The most efficient route generates a chiral benzylic alcohol by catalytic asymmetric oxazaborolidine reduction of a γ-ketoester that is subsequently activated and displaced in an SN2 manner with a higher order cuprate. Intramolecular Friedel-Crafts cyclization of the resulting t-butylester affords the title compound.

Process for preparing sertraline intermediates

-

, (2008/06/13)

A novel three-step process for preparing 4-(3,4-dichlorophenyl)-4-phenylbutanoic acid is disclosed, which involves (1) reducing 4-(3,4-dichlorophenyl)-4-ketobutanoic acid to 4-(3,4-dichlorophenyl)-4-hydroxybutanoic acid; (2) then converting the intermediate hydroxy acid formed in the first step to 5-(3,4-dichlorophenyl)-dihydro-2(3H)-furanone, and (3) thereafter reacting the resulting gamma-butyrolactone compound with benzene in a Friedel-Crafts type reaction to form the desired final product. The latter compound is known to be useful as an intermediate leading to 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone and ultimately, to cis-(1S)(4S)-N-methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalene amine (sertraline), which is known to be a preferred anti-depressant agent in the field of medicinal chemistry. The aforementioned 5-(3,4-dichlorophenyl)-dihydro-2(3H)-furanone and 4-(3,4-dichlorophenyl)-4-hydroxybutanoic acid are both novel compounds. There is also disclosed a novel process for converting 5-(3,4-dichlorophenyl)-dihydro-2(3H)-furanone directly to 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, as well as an alternate novel process for converting 4-(3,4-dichlorophenyl)-4-hydroxybutanoic acid directly to this same key intermediate.

Process for preparing a 4,4-diphenylbutanoic acid derivative

-

, (2008/06/13)

A novel three-step process for preparing 4-(3,4-dichlorophenyl)-4-phenylbutanoic acid is disclosed, which involves (1) reducing 4-(3,4-dichlorophenyl)-4-ketobutanoic acid to 4-(3,4-dichlorophenyl)-4-hydroxybutanoic acid; (2) then converting the intermediate hydroxy acid formed in the first step to 5-(3,4-dichlorophenyl)-dihydro-2(3H)-furanone, and (3) thereafter reacting the resulting gamma-butyrolactone compound with benzene in a Friedel-Crafts type reaction to form the desired final product. The latter compound is known to be useful as an intermediate leading to cis-(1S)(4S)- -N-methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthaleneamine (sertraline), which is known to be a preferred anti-depressant agent in the field of medicinal chemistry. The aforementioned 5-(3,4-dichlorophenyl)-dihydro-2(3H)-furanone and 4-(3,4-dichlorophenyl)-4-hydroxybutanoic acid are both novel compounds.

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