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2-Phenylthiazole-4-carboxylic acid methyl ester is an organic compound characterized by its molecular formula C11H9NO2S. It is a derivative of thiazole, a five-membered aromatic heterocyclic compound that includes a sulfur atom and a nitrogen atom. This versatile chemical is widely recognized for its reactivity and biological activity, making it a key component in the synthesis of pharmaceuticals and agrochemicals. Its methyl ester functional group further enhances its applicability in various chemical reactions and transformations, solidifying its value in organic synthesis.

7113-02-2

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7113-02-2 Usage

Uses

Used in Pharmaceutical Industry:
2-Phenylthiazole-4-carboxylic acid methyl ester is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure and reactivity contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Phenylthiazole-4-carboxylic acid methyl ester serves as a building block for the creation of novel agrochemicals. Its incorporation into these products can lead to enhanced crop protection and management solutions.
Used in Organic Synthesis:
2-Phenylthiazole-4-carboxylic acid methyl ester is utilized as a versatile reagent in organic synthesis. Its ability to participate in a range of chemical reactions makes it suitable for the preparation of diverse chemical compounds and intermediates, expanding its utility across various chemical applications.

Check Digit Verification of cas no

The CAS Registry Mumber 7113-02-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,1,1 and 3 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 7113-02:
(6*7)+(5*1)+(4*1)+(3*3)+(2*0)+(1*2)=62
62 % 10 = 2
So 7113-02-2 is a valid CAS Registry Number.

7113-02-2SDS

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 methyl 2-phenyl-1,3-thiazole-4-carboxylate

1.2 Other means of identification

Product number -
Other names METHYL 2-PHENYLTHIAZOLE-4-CARBOXYLATE

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:7113-02-2 SDS

7113-02-2Relevant articles and documents

Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics

Hussein, Waleed M.,Feder, Daniel,Schenk, Gerhard,Guddat, Luke W.,McGeary, Ross P.

, p. 462 - 479 (2018/08/21)

Purple acid phosphatases (PAPs) are metalloenzymes that catalyse the hydrolysis of phosphate esters under acidic conditions. Their active site contains a Fe(III)Fe(II) metal centre in mammals and a Fe(III)Zn(II) or Fe(III)Mn(II) metal centre in plants. In humans, elevated PAP levels in serum strongly correlate with the progression of osteoporosis and metabolic bone malignancies, which make PAP a target suitable for the development of chemotherapeutics to combat bone ailments. Due to difficulties in obtaining the human enzyme, the corresponding enzymes from red kidney bean and pig have been used previously to develop specific PAP inhibitors. Here, existing lead compounds were further elaborated to create a series of inhibitors with Ki values as low as ~30 μM. The inhibition constants of these compounds were of comparable magnitude for pig and red kidney bean PAPs, indicating that relevant binding interactions are conserved. The crystal structure of red kidney bean PAP in complex with the most potent inhibitor in this series, compound 4f, was solved to 2.40 ? resolution. This inhibitor coordinates directly to the binuclear metal centre in the active site as expected based on its competitive mode of inhibition. Docking simulations predict that this compound binds to human PAP in a similar mode. This study presents the first example of a PAP structure in complex with an inhibitor that is of relevance to the development of anti-osteoporotic chemotherapeutics.

The Synthesis and Biological Evaluation of Anithiactin A/Thiasporine C and Analogues

Lamb, Richard A.,Badart, Michael P.,Swaney, Brooke E.,Gai, Sinan,Baird, Sarah K.,Hawkins, Bill C.

, p. 1829 - 1833 (2015/12/26)

The synthesis of anithiactin A has been achieved in four steps. Several closely related analogues were synthesised and their biological activity against colon and breast cancer cell lines evaluated. Anithiactin A was found not to be cytotoxic even at a hi

Concise synthesis of 2,4-disubstituted thiazoles from β-azido disulfides and carboxylic acids or anhydrides: Asymmetric synthesis of cystothiazole C

Liu, Yi,Sun, Xue,Zhang, Xing,Liu, Jun,Du, Yuguo

, p. 8453 - 8461 (2014/12/10)

A novel and efficient method for the one-pot synthesis of 2,4-disubstituted thiazoles from carboxylic acids or anhydrides is presented. Based on this new method, the total synthesis of the bis-2,4-disubstituted bis(thiazoles) natural product cystothiazole C is also presented. This journal is

IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION

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Paragraph 00144, (2013/11/18)

The present invention provides thiazole compounds of Formula I wherein W, Y, R0, R2, R4, R5, R6, R7, X1, X2, X3 and X4 are as defined herein, or a stereoisomer, tautomer, pharmaceutically acceptable salt, prodrug ester or solvate form thereof, wherein all of the variables are as defined herein. These compounds are inhibitors of platelet aggregation and thus can be used as medicaments for treating or preventing thromboembolic disorders.

PAR4 AGONIST PEPTIDES

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Page/Page column, (2013/11/06)

The present invention provides PAR4 agonist peptides. These peptides are useful for developing robust PAR4 receptor assays.

Convenient Synthesis of Azolines to Azoles

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Paragraph 0119, (2013/03/26)

Azolines are oxidized in the presence of a copper-containing catalyst to azoles in the presence of molecular oxygen. A synthetic scheme converting azolines azoles is also provided.

Pd(ii)-catalyzed direct C5-arylation of azole-4-carboxylates through double C-H bond cleavage

Li, Ziyuan,Ma, Ling,Xu, Jinyi,Kong, Lingyi,Wu, Xiaoming,Yao, Hequan

, p. 3763 - 3765 (2012/06/15)

The first palladium-catalyzed direct C5-arylation of azole-4-carboxylates with simple unactivated arenes through double C-H bond cleavage is realized. This protocol provided a straightforward access to diverse 5-arylsubstituted azole-4-carboxylic derivatives with good functional group tolerance. The Royal Society of Chemistry 2012.

Copper-catalyzed oxidation of azolines to azoles

Dawsey, Anna C.,Li, Vincent,Hamilton, Kimberly C.,Wang, Jianmei,Williams, Travis J.

, p. 7994 - 8002 (2012/08/08)

We report herein convenient, aerobic conditions for the oxidation of thiazolines to thiazoles and data regarding the oxidation mechanism. These reactions feature operationally simple and environmentally benign conditions and proceed in good yield to afford the corresponding azoles, thus enabling the inexpensive preparation of valuable molecular building blocks. Incorporation of a novel diimine-ligated copper catalyst, [(MesDABMe) CuII(OH2)3]2+ [-OTf] 2, provides increased reaction efficiency in many cases. In other cases copper-free conditions involving a stoichiometric quantity of base affords superior results.

Mechanism selection for regiocontrol in base-assisted, palladium-catalysed direct C-H coupling with halides: First approach for oxazole- and thiazole-4-carboxylates

Théveau, Laure,Verrier, Cécile,Lassalas, Pierrik,Martin, Thibaut,Dupas, Georges,Querolle, Olivier,Van Hijfte, Luc,Marsais, Francis,Hoarau, Christophe

supporting information; experimental part, p. 14450 - 14463 (2012/01/15)

Both base-assisted non-concerted metallation-deprotonation (nCMD) and concerted metallation-deprotonation (CMD) have been identified as two potent operating mechanisms in palladium-catalysed direct C-H coupling of oxazole and thiazole-4-carboxylate esters

Development and characterization of new inhibitors of the human and mouse hematopoietic prostaglandin D2 synthases

Christ, Angelika N.,Labzin, Larisa,Bourne, Gregory T.,Fukunishi, Hirotada,Weber, Jane E.,Sweet, Matthew J.,Smythe, Mark L.,Flanagan, Jack U.

supporting information; experimental part, p. 5536 - 5548 (2010/11/17)

The hematopoietic prostaglandin D2 synthase has a proinflammatory effect in a range of diseases, including allergic asthma, where its product prostaglandin D2 (PGD2) has a role in regulating many of the hallmark disease characteristics. Here we describe the development and characterization of a novel series of hematopoietic prostaglandin D2 synthase inhibitors with potency similar to that of known inhibitors. Compounds N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2- carboxamide (compound 8) and N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(thiophen- 2-yl)nicotinamide (compound 34) demonstrated low micromolar potency in the inhibition of the purified enzyme, while only 34 reduced Toll-like receptor (TLR) inducible PGD2 production in both mouse primary bone marrow-derived macrophages and the human megakaryocytic cell line MEG-01S. Importantly, 34 demonstrated a greater selectivity for inhibition of PGD 2 synthesis versus other eicosanoids that lie downstream of PGH 2 (PGE2 and markers of prostacyclin (6-keto PGF 1?) and thromboxane (TXB2)) when compared to the known inhibitors HQL-79 (compound 1) and 2-phenyl-5-(1H-pyrazol-3-yl)thiazole (compound 2). Compound 34 therefore represents a selective hematopoietic prostaglandin D2 synthase inhibitor.

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