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Methyl 4,5-dichlorothiophene-2-carboxylate is an organic compound characterized by the presence of a methyl ester group attached to a 4,5-dichlorothiophene-2-carboxylate moiety. This molecule features a thiophenic ring with two chlorine atoms at the 4th and 5th positions, and a carboxylate group at the 2nd position, which is esterified with a methyl group. Its chemical structure endows it with specific reactivity and properties that make it suitable for various applications in the chemical and pharmaceutical industries.

89281-29-8

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89281-29-8 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 4,5-dichlorothiophene-2-carboxylate is used as a reactant in the synthesis of 2-aryl indole neurokinin NK receptor antagonists. These antagonists are compounds of interest in the development of drugs targeting neurokinin receptors, which play a role in various physiological processes and are implicated in a range of disorders. The optimization of amide substituent in these molecules is crucial for enhancing their potency, selectivity, and pharmacokinetic properties, making Methyl 4,5-dichlorothiophene-2-carboxylate a valuable intermediate in medicinal chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 89281-29-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,9,2,8 and 1 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 89281-29:
(7*8)+(6*9)+(5*2)+(4*8)+(3*1)+(2*2)+(1*9)=168
168 % 10 = 8
So 89281-29-8 is a valid CAS Registry Number.

89281-29-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4,5-dichlorothiophene-2-carboxylate

1.2 Other means of identification

Product number -
Other names 2.3-Dichlor-thiophen-5-carbonsaeure-methylester

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:89281-29-8 SDS

89281-29-8Relevant academic research and scientific papers

Ag(I)-Catalyzed C-H Carboxylation of Thiophene Derivatives

Lee, Mijung,Hwang, Young Kyu,Kwak, Jaesung

supporting information, p. 3136 - 3144 (2021/09/30)

CO2utilization is an attractive aspect as it allows the direct conversion of CO2into valuable chemicals. In this regard, direct incorporation of CO2into the C-H bond of heteroaromatic compounds is important due to the ubiquitous structural motifs of the heteroaromatic carboxylic acids. Herein, we report the Ag-catalyzed C-H carboxylation of thiophene derivatives. This new catalytic system involving a phosphine ligand and lithiumtert-butoxide enables the direct carboxylation of thiophenes under mild reaction conditions. Experimental studies revealed that the use oftert-butyl alkoxide is critical for the exergonic formation of an arylsilver intermediate, and the results were further supported by density functional theory calculations.

An efficient and facile process for synthesis of 4,5-dichlorothiophene-2-carboxylic acid using N-chlorosuccinimide

Wang, Peng,Ji, Min,Sha, Fei

, p. 622 - 624 (2015/01/09)

4,5-Dichlorothiophene-2-carboxylic acid was obtained from the starting material thiophene-2-carboxylic acid via esterification, chlorination and hydrolysis. The chlorination reaction was achieved using N.chlorosuccinimide as the chlorinating agent with high selectivity and yield. The advantages of this synthesis route were mild reaction conditions, simplified operational procedure and the raw materials were easy to obtain. It could be applied to industrial production.

Herbicidal Thienylureas, II

Stanetty, Peter,Puschautz, Erhard

, p. 65 - 72 (2007/10/02)

In search of novel biological active thiophene derivatives we recently focused our interest on thienylureas.The present paper deals with substances being in close relation to second generation urea herbicides (C).The main part describes syntheses leading to thiophene carboxylic acids with corresponding substitution patterns.A modified Curtius degradation was used as key step for the formation of the thienylureas. - Keywords: Curtius degradation; Herbicides; Thiophenes; Ureas

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