Tag: 185.2418

Copper-Catalyzed Three-Component Synthesis of Benzothiazolethiones from o-Iodoanilines, Isocyanide, and Potassium Sulfide was written by Dang, Pan;Zeng, Weilan;Liang, Yun. And the article was included in Organic Letters in 2015.Computed Properties of C7H4FNS2 This article mentions the following:

An efficient copper catalyzed strategy for the synthesis of a variety of benzothiazolethione derivatives has been developed. In the presence of CuCl, the three-component reaction of o-iodoanilines and K₂S with p-toluenesulfonylmethyl isocyanide proceeded smoothly to obtain the corresponding benzothiazolethiones in good to excellent isolated yields. Notably, isocyanide functioned as a carbon source and K₂S functioned as a sulfur source in this reaction. In the experiment, the researchers used many compounds, for example, 6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4Computed Properties of C7H4FNS2).

6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4) belongs to thiazole derivatives. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities. Electrophilic attack at nitrogen depends on the presence of electron density at nitrogen as well as the position and nature of substituent linked to the thiazole ring.Computed Properties of C7H4FNS2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Hexahydrophthalimide-benzothiazole hybrids as a new class of protoporphyrinogen oxidase inhibitors: synthesis, structure-activity relationship, and DFT calculations was written by Wu, Qiong-You;Jiang, Li-Li;Yang, Sheng-Gang;Zuo, Yang;Wang, Zhi-Fang;Xi, Zhen;Yang, Guang-Fu. And the article was included in New Journal of Chemistry in 2014.Name: 6-Fluorobenzo[d]thiazole-2(3H)-thione This article mentions the following:

Protoporphyrinogen oxidase (PPO, EC 1.3.3.4) has attracted continuous interest during the last few decades not only because of its unique biochem. characteristics but also because of its biomedical significance. As a continuation of our research work on the development of new PPO inhibitors, N-(benzothiazol-5-yl)-hexahydro-2H-isoindole-1,3-dithione (1a-j) and N-(benzothiazol-5-yl)-octahydro-3-thioxoisoindol-1-one derivatives (2a-i) were designed and synthesized. These newly prepared compounds were characterized by elemental analyses, ¹H NMR and ESI-MS spectroscopy. The in vitro assay indicated that these compounds displayed good inhibition activity against human PPO (hPPO) with K_i values ranging from 0.38 渭M to 6.83 渭M. Notably, most of the monothionated products (1a-j) displayed a higher or comparable PPO-inhibition activity compared with the com. control sulfentrazone. The comparison of the dihedral angles of the representative compound with that of acifluorfen (ACF) complexed with hPPO clearly indicated that the dihedral angle between the thionyl amide or carbonyl amide ring and the benzothiazole ring was closely related to the variation of the PPO inhibition activity of different types of inhibitors. In the experiment, the researchers used many compounds, for example, 6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4Name: 6-Fluorobenzo[d]thiazole-2(3H)-thione).

6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4) belongs to thiazole derivatives. The thiazole ring is notable as a component of the vitamin thiamine (B1). The nitrogen in thiazole is sp2 hybridized and the lone pair of electrons localized on the nitrogen is less reactive due to increased aromatic character and decreased basicity. It is protonated and alkylated/acylated at nitrogen forming hydrochloride and quaternary thiazolium salt.Name: 6-Fluorobenzo[d]thiazole-2(3H)-thione

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Synthesis and in silico analysis of some new N-phosphorylated 1,2,4-triazole derivatives as potential mycocidal agents was written by Gumber, Khushbu;Sidhu, Anjali;Sharma, Vineet K.. And the article was included in Indian Journal of Heterocyclic Chemistry in 2017.Safety of 6-Fluorobenzo[d]thiazole-2(3H)-thione This article mentions the following:

Ten new biheterocyclic compounds were synthesized by two-step reaction protocol via formation of intermediate Ph phosphorodichloridate, followed by addition of triazole and the addnl. heterocyclic substituent to obtain the final product. The in vitro mycocidal potential of novel synthesized N-phosphorylated 1,2,4-triazole derivatives were examined on phytopathogens, namely, Blumeria graminis tritici, Puccinia striiformis, Puccinia triticina, and Ustilago tritici. Structure elucidation of the compounds was made on the basis of elemental anal., Fourier transform IR, ¹H NMR, and ³¹P NMR spectral data. Most of the compounds with addnl. thiazole/benzothiazole moieties inflicted appreciable potential, comparable to standards and in silico anal. rationale the in vitro antifungal potential of the test compounds In the experiment, the researchers used many compounds, for example, 6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4Safety of 6-Fluorobenzo[d]thiazole-2(3H)-thione).

6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4) belongs to thiazole derivatives. Thiazoles frequently appear in peptide studies. Thiazoles can also be used as protected formyl groups, which can be released in later stages of complex natural product synthesis. Thiazole is a versatile building block for the construction and lead generation of new drug discoveries. Numerous diazole-based compounds are in clinical use as anticancer, antileukemic, antiinflammatory, antiviral, antifungal, antirheumatic, immunomodulator, and antiparasitic agents.Safety of 6-Fluorobenzo[d]thiazole-2(3H)-thione

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Metal sulfide: An efficient promoter for the synthesis of 2-mercaptobenzothiazoles from 2-haloanilines and carbon disulfide was written by Zhang, Tianmiao;Qin, Weijing;Zhu, Ning;Han, Limin;Wang, Liubo;Hong, Hailong. And the article was included in Synthetic Communications in 2017.Product Details of 80087-71-4 This article mentions the following:

A convenient method has been developed for the preparation of a variety of 2-mercaptobenzothiazoles from 2-haloanilines and CS₂ mediated by metal sulfide. In this reaction, 2-haloanilines reacted with CS₂ in the presence of Na₂S·9H₂O to form 2-mercaptobenzothiazoles. Na₂S·9H₂O functioned both as an activator of CS₂ and as a base. Furthermore, NMR anal. was used to identify the different reaction mechanisms of 2-haloanilines and CS₂ mediated by Na₂S or 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), which demonstrated that Na₂S interacted only with CS₂, while DBU reacted with both 2-iodoaniline and CS₂. In the experiment, the researchers used many compounds, for example, 6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4Product Details of 80087-71-4).

6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4) belongs to thiazole derivatives. Thiazole rings are planar and aromatic. Thiazoles are characterized by larger pi-electron delocalization than the corresponding oxazoles and have therefore greater aromaticity.Various laboratory methods exist for the organic synthesis of thiazoles. For example, 2,4-dimethylthiazole is synthesized from thioacetamide and chloroacetone.Product Details of 80087-71-4

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Copper-Catalyzed Three-Component Synthesis of Benzothiazolethiones from o-Iodoanilines, Isocyanide, and Potassium Sulfide was written by Dang, Pan;Zeng, Weilan;Liang, Yun. And the article was included in Organic Letters in 2015.Computed Properties of C7H4FNS2 This article mentions the following:

An efficient copper catalyzed strategy for the synthesis of a variety of benzothiazolethione derivatives has been developed. In the presence of CuCl, the three-component reaction of o-iodoanilines and K₂S with p-toluenesulfonylmethyl isocyanide proceeded smoothly to obtain the corresponding benzothiazolethiones in good to excellent isolated yields. Notably, isocyanide functioned as a carbon source and K₂S functioned as a sulfur source in this reaction. In the experiment, the researchers used many compounds, for example, 6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4Computed Properties of C7H4FNS2).

6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4) belongs to thiazole derivatives. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities. Electrophilic attack at nitrogen depends on the presence of electron density at nitrogen as well as the position and nature of substituent linked to the thiazole ring.Computed Properties of C7H4FNS2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Hexahydrophthalimide-benzothiazole hybrids as a new class of protoporphyrinogen oxidase inhibitors: synthesis, structure-activity relationship, and DFT calculations was written by Wu, Qiong-You;Jiang, Li-Li;Yang, Sheng-Gang;Zuo, Yang;Wang, Zhi-Fang;Xi, Zhen;Yang, Guang-Fu. And the article was included in New Journal of Chemistry in 2014.Name: 6-Fluorobenzo[d]thiazole-2(3H)-thione This article mentions the following:

Protoporphyrinogen oxidase (PPO, EC 1.3.3.4) has attracted continuous interest during the last few decades not only because of its unique biochem. characteristics but also because of its biomedical significance. As a continuation of our research work on the development of new PPO inhibitors, N-(benzothiazol-5-yl)-hexahydro-2H-isoindole-1,3-dithione (1a-j) and N-(benzothiazol-5-yl)-octahydro-3-thioxoisoindol-1-one derivatives (2a-i) were designed and synthesized. These newly prepared compounds were characterized by elemental analyses, ¹H NMR and ESI-MS spectroscopy. The in vitro assay indicated that these compounds displayed good inhibition activity against human PPO (hPPO) with K_i values ranging from 0.38 μM to 6.83 μM. Notably, most of the monothionated products (1a-j) displayed a higher or comparable PPO-inhibition activity compared with the com. control sulfentrazone. The comparison of the dihedral angles of the representative compound with that of acifluorfen (ACF) complexed with hPPO clearly indicated that the dihedral angle between the thionyl amide or carbonyl amide ring and the benzothiazole ring was closely related to the variation of the PPO inhibition activity of different types of inhibitors. In the experiment, the researchers used many compounds, for example, 6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4Name: 6-Fluorobenzo[d]thiazole-2(3H)-thione).

6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4) belongs to thiazole derivatives. The thiazole ring is notable as a component of the vitamin thiamine (B1). The nitrogen in thiazole is sp2 hybridized and the lone pair of electrons localized on the nitrogen is less reactive due to increased aromatic character and decreased basicity. It is protonated and alkylated/acylated at nitrogen forming hydrochloride and quaternary thiazolium salt.Name: 6-Fluorobenzo[d]thiazole-2(3H)-thione

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Synthesis and in silico analysis of some new N-phosphorylated 1,2,4-triazole derivatives as potential mycocidal agents was written by Gumber, Khushbu;Sidhu, Anjali;Sharma, Vineet K.. And the article was included in Indian Journal of Heterocyclic Chemistry in 2017.Safety of 6-Fluorobenzo[d]thiazole-2(3H)-thione This article mentions the following:

Ten new biheterocyclic compounds were synthesized by two-step reaction protocol via formation of intermediate Ph phosphorodichloridate, followed by addition of triazole and the addnl. heterocyclic substituent to obtain the final product. The in vitro mycocidal potential of novel synthesized N-phosphorylated 1,2,4-triazole derivatives were examined on phytopathogens, namely, Blumeria graminis tritici, Puccinia striiformis, Puccinia triticina, and Ustilago tritici. Structure elucidation of the compounds was made on the basis of elemental anal., Fourier transform IR, ¹H NMR, and ³¹P NMR spectral data. Most of the compounds with addnl. thiazole/benzothiazole moieties inflicted appreciable potential, comparable to standards and in silico anal. rationale the in vitro antifungal potential of the test compounds In the experiment, the researchers used many compounds, for example, 6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4Safety of 6-Fluorobenzo[d]thiazole-2(3H)-thione).

6-Fluorobenzo[d]thiazole-2(3H)-thione (cas: 80087-71-4) belongs to thiazole derivatives. Thiazoles frequently appear in peptide studies. Thiazoles can also be used as protected formyl groups, which can be released in later stages of complex natural product synthesis. Thiazole is a versatile building block for the construction and lead generation of new drug discoveries. Numerous diazole-based compounds are in clinical use as anticancer, antileukemic, antiinflammatory, antiviral, antifungal, antirheumatic, immunomodulator, and antiparasitic agents.Safety of 6-Fluorobenzo[d]thiazole-2(3H)-thione

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica