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2-(Phenylthio)benzoic acid, a chemical compound with the molecular formula C13H10O2S, is a derivative of benzoic acid featuring a phenylthio group attached to its core. This versatile molecule is known for its diverse reactivity and structural properties, making it a valuable asset in organic chemistry.

1527-12-4

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1527-12-4 Usage

Uses

Used in Organic Synthesis:
2-(Phenylthio)benzoic acid is utilized as a key intermediate in organic synthesis, serving as a building block for the creation of various complex organic molecules. Its unique structure allows for multiple synthetic pathways, enhancing the efficiency and diversity of chemical reactions.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 2-(Phenylthio)benzoic acid is employed as a starting material for the preparation of a wide range of pharmaceuticals. Its chemical properties enable the development of new drugs with potential therapeutic applications, contributing to advancements in medicine.
Used in Agrochemical Industry:
2-(Phenylthio)benzoic acid also finds application in the agrochemical industry, where it is used as a precursor for the synthesis of various agrochemicals. Its role in the development of effective and safe agrochemicals is crucial for enhancing agricultural productivity and crop protection.
Used in Dye and Pigment Production:
As an intermediate in the production of dyes and pigments, 2-(Phenylthio)benzoic acid contributes to the creation of a diverse array of colorants used in various industries, including textiles, plastics, and printing inks. Its presence in these applications ensures vibrant and long-lasting colors.
Used in Specialty Chemicals:
2-(Phenylthio)benzoic acid's versatile reactivity and structural properties make it an essential component in the production of specialty chemicals. Its applications in this industry are broad, ranging from the development of high-performance materials to the synthesis of unique chemical compounds with specific properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1527-12-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,5,2 and 7 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1527-12:
(6*1)+(5*5)+(4*2)+(3*7)+(2*1)+(1*2)=64
64 % 10 = 4
So 1527-12-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H10O2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)

1527-12-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(phenylthio)benzoic acid

1.2 Other means of identification

Product number -
Other names 2-(PHENYLTHIO)BENZOIC 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:1527-12-4 SDS

1527-12-4Relevant academic research and scientific papers

Synthesis and characterization of ortho-thio-functionalized triarylmethyl palladium complexes

Sch?ler, Stephan,Merz, Klaus,Puls, Arik,Winter, Manuela,Dyker, Gerald

, p. 53 - 57 (2015)

A series of triarylmethyl palladium complexes with ortho coordination sites were synthesized. Thereby, the palladium atom exhibits various inter- and intramolecular binding modes towards the organic ligand. Further, the first crystallographically proven, exclusively σ-coordinated triarylmethyl palladium complexes, stabilized by ortho-thio-substituents, were discovered. The NMR spectra of the palladium complexes indicate temperature-dependent dynamic behavior.

Design and synthesis of novel 4-thiazolidinone derivatives with promising anti-breast cancer activity: Synthesis, characterization, in vitro and in vivo results

Almasirad, Ali,Bayat, Peyman,Dehghani, Soudeh,Khaleghi, Sepideh,Kooshafar, Zahra,Salimi, Mona,Tahmasvand, Raheleh,Vahdaniparast, Seyyed Mahmood

, (2020)

Novel lead compounds as anticancer agents with the ability to circumvent emerging drug resistance have recently gained a great deal of interest. Thiazolidinones are among such compounds with well-established biological activity in the field of oncology. Here, we designed, synthesized and characterized a series of thiazolidinone structures (8a-8k). The results of anti-proliferative assay led to the discovery of compound 8j with a high potent cytotoxic effect using colon, liver and breast cancer cells. Furthermore, MDA-MB-231 and 4T1 cell lines were used to represent triple negative breast cancer (TNBC). Next, a number of in vitro and in vivo evaluations were carried out to demonstrate the potential activity against TNBC and also elucidate the possible mechanism of cell death induction. Our in vitro outcomes exhibited an impressive anticancer activity for compound 8j toward MDA-MB-231 cells through inducing apoptosis and a remarkable anti-metastatic feature via suppressing MMP-9 expression as well. Consistently, the in vivo and immunohistopathologic evaluations demonstrated that this compound significantly inhibited the 4T1 induced tumor growth and its metastasis to the lung. Altogether, among numerous thiazolidinone derivatives, compound 8j might represent a promising anticancer agent for TNBC, which is a major concern in the developed and developing countries.

COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF

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Paragraph 0104; 0103, (2021/05/21)

The present invention provides a novel compound that can improve the luminous efficiency, stability and life span of the element, an organic electronic element using the same, and an electronic device thereof.

COMPOSITION AND METHOD FOR MANUFACTURING DEVICE USING SAME

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Paragraph 0290, (2020/02/27)

An onium salt and a composition having high sensitivity and excellent pattern characteristics such as LWR, which is preferably used for a resist composition for a lithography process using two active energy rays of a first active energy ray such as an electron beam or an extreme ultraviolet and a second active energy ray such as UV.

COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF

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Paragraph 0144; 0238; 0247-0250, (2020/10/31)

The present invention provides a compound represented by chemical formula 1, an organic electric device including a first electrode, a second electrode, and an organic material layer between the first electrode and the second electrode, and an electronic device including the organic electric device. By including the compound represented by chemical formula 1 in the organic material layer, the driving voltage of the organic electric device can be lowered, luminous efficiency and lifespan can be improved, and in particular, the lifespan can be improved.COPYRIGHT KIPO 2021

Cerium catalyst promoted C-S cross-coupling: Synthesis of thioethers, dapsone and RN-18 precursors

Tavares Junior, José M. Da C.,Da Silva, Caren D. G.,Dos Santos, Beatriz F.,Souza, Nicole S.,De Oliveira, Aline R.,Kupfer, Vicente L.,Rinaldi, Andrelson W.,Domingues, Nelson L. C.

supporting information, p. 10103 - 10108 (2019/12/23)

In this work, we present a novel, efficient and green methodology for the synthesis of thioethers by the C-S cross-coupling reaction with the assistance of [Ce(l-Pro)2]2Ox as a heterogeneous catalyst in good to excellent yields. A scale-up of the protocol was explored using an unpublished methodology for the synthesis of a dapsone-precursor, which proved to be very effective over a short time. The catalyst [Ce(l-Pro)2]2Ox was recovered and it was shown to be effective for five more reaction cycles.

Positive resist composition, resist pattern forming process, and photomask blank

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Page/Page column 57, (2019/10/01)

A positive resist composition comprising a polymer adapted to be decomposed under the action of acid to increase its solubility in alkaline developer and a sulfonium compound of specific structure has a high resolution. When the resist composition is processed by lithography, a pattern with minimal LER can be formed.

Cobalt-Catalyzed Direct C-H Thiolation of Aromatic Amides with Disulfides: Application to the Synthesis of Quetiapine

Li, Mingliang,Wang, Jun Joelle

, p. 6490 - 6493 (2018/10/20)

A direct C(sp2)-H thiolation of aromatic amides with disulfides was developed. The coupling reaction proceeds between the thioether radical and cobaltacycle intermediate. This method exhibits a relatively broad substrate scope and high functional group compatibility. A mechanistic study indicates that the cobalt(IV) intermediate is probably formed during the course of the reaction. The thiolation product can be transformed to Quetiapine, which is an atypical antipsychotic agent approved for the treatment of schizophrenia and bipolar disorder.

Negative resist composition and resist pattern forming process

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Page/Page column 67, (2018/11/24)

A negative resist composition comprising (A) a sulfonium compound of betaine type and (B) a polymer is provided. The resist composition is effective for controlling acid diffusion during the exposure step, exhibits a very high resolution during pattern formation, and forms a pattern with minimal LER.

Synthesis and Crystal Structures of Diaryl Thioethers and Aryl Benzyl Thioethers Derived from Thiosalicylic Acid

Liu, Dan,Chen, Min,Fang, Duowen,Jia, Ai-Quan,Zhang, Qian-Feng

, p. 1 - 11 (2018/04/26)

Abstract: Reaction of thiosalicylic acid and iodobenzene or 1-fluoro-2-nitrobenzene in the presence of two equiv. of K2CO3 in acetone–water afforded the according diaryl thioethers 1 and 2 bearing carboxyl groups. Treatment of thiosalicylic acid with benzyl bromide-type compounds under similar reaction conditions gave aryl benzyl thioethers 3–8 in excellent yields. Moreover, reactions of thiosalicylic acid and benzyl bromide in the presence of excess K2CO3 led to isolation of compound 9 (Leka et al. in Acta Cryst E69:o285–0286, 2013) through further esterification of the carboxyl group. Crystal structures of 2, 5–7 and 9 (Leka et al. in Acta Cryst E69:o285–0286, 2013), along with their spectroscopic properties are reported. Weak hydrogen-bonding interactions exist in compound 2 and isomers 5–7. Compounds 2 and 7 crystallize in the monoclinic space group P21/n and C2/c, respectively, with a = 12.04(3), b = 7.311(19), C=14.22(4) ?, β = 93.94(3)°, and Z = 4 for 2, and a = 14.934(13), b = 5.116(5), C=33.76(3) ?, β = 91.523(12)°, and Z = 8 for 7. The unit cell of 5 has triclinic P-1 symmetry with the cell parameters a = 5.4334(14), b = 7.7787(19), C=16.488(4) ?, α = 76.601(3)°, β = 86.078(3)°, γ = 70.772(3)°, and Z = 2 for 5. Compound 6 crystallizes in the orthorhombic space group Pbca with a = 15.1881(12), b = 7.3288(6), C=23.7366(19) ?, and Z = 8. Graphical Abstract: Reactions of thiosalicylic acid and a series of aryl- or benzyl halides in the presence of K2CO3 in acetone–water resulted in the formation of according diaryl thioethers and aryl benzyl thioethers in excellent yields.

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