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3-(2-CHLORO-PHENYLSULFANYL)-PROPIONIC ACID, also known as 2-Chloro-3-(phenylsulfanyl)propanoic acid, is a chemical compound with a molecular formula of C9H9ClO2S. It is a derivative of propanoic acid and contains a phenylsulfanyl group and a chlorine atom attached to the 2 and 3 positions, respectively. 3-(2-CHLORO-PHENYLSULFANYL)-PROPIONIC ACID is characterized by its unique chemical structure and reactivity, which makes it a valuable building block in various fields.

99585-16-7

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99585-16-7 Usage

Uses

Used in Pharmaceutical Industry:
3-(2-CHLORO-PHENYLSULFANYL)-PROPIONIC ACID is used as a building block for the synthesis of pharmaceuticals due to its unique chemical structure and reactivity. It exhibits anti-inflammatory and analgesic properties, making it potentially useful in the development of new medications for pain management and inflammation.
Used in Agrochemical Industry:
3-(2-CHLORO-PHENYLSULFANYL)-PROPIONIC ACID is also used as a building block in the synthesis of agrochemicals, contributing to the development of new products for agricultural applications.
Used in Organic Synthesis:
3-(2-chloro-phenylsulfanyl)-propionic acid may have applications in the field of organic synthesis due to its unique chemical structure and reactivity, allowing for the creation of various organic compounds.
Used in Material Science:
Additionally, 3-(2-chloro-phenylsulfanyl)-propionic acid may be utilized in material science, where its unique properties can contribute to the development of new materials with specific characteristics.

Check Digit Verification of cas no

The CAS Registry Mumber 99585-16-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,9,5,8 and 5 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 99585-16:
(7*9)+(6*9)+(5*5)+(4*8)+(3*5)+(2*1)+(1*6)=197
197 % 10 = 7
So 99585-16-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H9ClO2S/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)

99585-16-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-chlorophenyl)sulfanylpropanoic acid

1.2 Other means of identification

Product number -
Other names 3-[(2-chlorophenyl)yhio]propanoic 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:99585-16-7 SDS

99585-16-7Relevant academic research and scientific papers

Preparation method of halogenated benzothiazepine oxide, product prepared by preparation method and application of product

-

Paragraph 0054; 0059-0061; 0080-0091, (2020/09/09)

The invention discloses a preparation method of halogenated benzothiazepine oxide as well as a product prepared by the preparation method and application of the halogenated benzothiazepine oxide, andrelates to the technical field of chemical synthesis. Th

Synthesis and anticancer activities of thiosemicarbazones derivatives of thiochromanones and related scaffolds

Li, Guobi,Li, Jincheng,Liu, Shenggui,Pan, Rongkai,Song, Jiangli,Song, Xiumei,Su, Wenyi

, (2020/02/13)

A series of novel thiosemicarbazone analogs (4a–t, 6a–j) were synthesized and evaluated for their cytotoxic activities. The obtained results showed that thiochromanone-based thiosemicarbazones substituted primarily at the C-8 position exhibited higher cytotoxicity than the corresponding 1,1-dioxo-thiochromanone-, benzothiazepine-, and 1,1-dioxo-benzothiazepine-based analogs. Significantly, compound 4c (8-fluoro thiochromanone thiosemicarbazone) was found to be the most active and exhibited potent cytotoxicity against the MCF-7, SK-mel-2, and DU145 cancer cell lines, with IC50 values of 0.42, 0.58, and 0.43 μM, respectively. In addition, the mechanism of compound 4c induced MCF-7 cell apoptosis was preliminarily investigated through cell cycle, Annexin V-FITC/PI staining, and ROS assays, indicating that compound 4c may exert its anticancer property through ROS-mediated apoptosis.

Synthesis of Novel Pterocarpen Analogues via [3?+?2] Coupling-Elimination Cascade of α,α-Dicyanoolefins with Quinone Monoimines

Chen, Hui,Zhao, Sihan,Cheng, Shaobing,Dai, Xingjie,Xu, Xiaoying,Yuan, Weicheng,Zhang, Xiaomei

, p. 1672 - 1683 (2019/04/08)

By employing triethylamine as a catalyst, [3?+?2] coupling-elimination cascade of α,α-dicyanoolefins with quinone monoimines was realized. The reactions afforded various novel pterocarpen analogues with generally moderate yields (up to 75%). In addition, a plausible reaction mechanism was proposed.

Thiochroman-4-one thiosemicarbazide compound as well as preparation method and application thereof

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Paragraph 0061; 0063; 0064; 0065, (2018/11/22)

The invention relates to a thiochroman-4-one thiosemicarbazide compound, as well as a preparation method and an application thereof. The structural formula of the thiochroman-4-one thiosemicarbazide compound is shown as Formula (I), wherein n is 1 or 2, R

Ionic liquid catalyzed synthesis of 2-(indole-3-yl)-thiochroman-4-ones and their novel antifungal activities

Song, Ya-Li,Wu, Fan,Zhang, Chao-Chao,Liang, Guo-Chao,Zhou, Guan,Yu, Jiao-Jiao

supporting information, p. 259 - 261 (2015/04/13)

2-(Indole-3-yl)-thiochroman-4-ones were synthesized via ionic liquid and tested for in vitro antifungal activity. The contribution of ionic liquid to Michael addition reaction is significant. Structures of all compounds are elucidated by 1H NMR, 13C NMR and HRMS. Most of these compounds showed better antifungal activity than fluconazole. The results suggest that 2-(indole-3-yl)-thiochroman-4-ones would be efficient antifungal agents.

Facile one-pot synthesis of some novel thiazolylpyrazole derivatives with antifungal activity

Song, Ya-Li,Yang, Tao,Dong, Yun-Fang,Wu, Fan,Yang, Geng-Liang

supporting information, p. 134 - 136 (2014/01/23)

A series of novel 1-(4-phenylthiazol-2-yl)-1,4-dihydrothiochroman[ 4,3-c]pyrazole have been prepared by a three-component reaction of thiochromanone-3-carbaldehyde, phenacyl bromide, and thiosemicarbazide. The reaction was in one-pot and did not require any additional catalyst with moderate yields. This method provided several advantages such as environment friendliness and simple work-up procedure. The compounds were assayed for antifungal activity and some of the new compounds can be further utilized as lead compounds.

Copper-free asymmetric allylic alkylation of trisubstituted cyclic allyl bromides using grignard reagents

Grassi, David,Alexakis, Alexandre

supporting information, p. 13642 - 13646 (2014/01/06)

AAA: The asymmetric allylic alkylation (AAA) of trisubstituted cyclic allyl bromides with Grignard reagents is catalytic (2 mol % of ligand) and regioselective (SN2'/SN2=91:9→100:0). The quaternary carbon centers are formed with good to high enantioselectivity (e.r.=81.5:19.5→96:4). Copyright

Synthesis and antifungal activity of some thiazole derivatives

Yang, Geng-Liang,Song, Ya-Li,Liu, Xiao-Ming,Yang, Ning

, p. 1849 - 1852 (2013/05/08)

A series of some thiazole derivatives were designed and synthesized. The structure of newly synthesized compounds was characterized by HRMS, 1H NMR and 13C NMR. The synthesized compounds were evaluated against ten species of fungi in vitro by agar cup plate and micro-titration methods, respectively. The results of antifungal screening reveal that among all the compounds screened three compounds showed moderate antifungal activity. The MIC value of 3 h against two fungal strains C. neoformans and C. albicas is 8 μg mL-1 respectively. The MIC value of 3i against two fungal strains C. neoformans and T. mentagrophytes is 8 μg mL-1 and 16 μg mL-1, respectively and 3a against T. mentagrophytes is 16 μg mL-1, the MIC of others are all beyond 32 μg mL-1.

Synthesis and antifungal activity of some novel (E)-2, 3-dihydro-3- [(phenylamino) methylene]-4H-1-benzothiopyran-4-ones

Liu, Xiao-Ming,Yang, Geng-Liang,Song, Ya-Li,Liu, Jie-Jie,Yang, Wang,Zhang, Dong-Nuan

, p. 228 - 234 (2013/07/26)

A series of novel (E)-2,3-dihydro-3-[(phenylamino)methylene]-4H-1- benzothiopyran-4-ones has been synthesized by using 2,3-dihydro-4H-1- benzothiopyran-4-ones as the starting material. The structures of the new compounds are characterized by UV-vis, IR, HRMS, 1H NMR, and 13C NMR. 2D NMR spectroscopic studies revealed that at room temperature, these compounds rather exist in the keto-enamine than in the Schiff base form. The synthesized compounds were evaluated against two species of fungi in vitro by agar double dilution method. The results of antifungal screening revealed that the MIC value of (E)-8-chloro-2,3-dihydro-3-[(4- nitrophenylamino)methylene]-4H-1-benzothiopyran-4-one (4j) against Candida albicans is 32 μg·ml-1 while the control Fluconazole is 64 μg?ml-1.

Synthesis and pharmacological evaluation of novel bisindolylalkanes analogues

Song, Ya-Li,Dong, Yun-Fang,Yang, Tao,Zhang, Chao-Chao,Su, Li-Min,Huang, Xin,Zhang, Dong-Nuan,Yang, Geng-Liang,Liu, Yu-Xin

, p. 7624 - 7627 (2014/01/06)

In an effort to develop potent anti-cancer chemopreventive agents that act on topoisomerase II, a novel series of bisindolylalkanes analogues such as 3,3′-(thiochroman-4,4-diyl)bis(1H-indole) are synthesized. Structures of all compounds are elucidated by 1H NMR, 13C NMR and HRMS. Anti-proliferative activities for all of these compounds are investigated by the method of MTT assay on 7 human cancer lines. Most of them showed antitumor activities in vitro, the half maximal inhibitory concentration (IC50) value is 7.798 μg/mL of 3a against MCF7. Compound 3a showed comparable topoisomerase II inhibitory activity to etoposide (VP-16) at 100 μM concentration. The rest of the compounds also showed varying degree topoisomerase II inhibitory activity.

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