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4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE is a chemical compound belonging to the thiadiazole class, characterized by a thiadiazole ring with a 4-methylphenyl group attached. This unique structure endows it with potential applications across various fields, including pharmaceuticals, agrochemicals, and materials science, making it a valuable building block for synthesizing new compounds with possible biological activity or material properties.

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  • 40753-14-8 Structure
  • Basic information

    1. Product Name: 4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE
    2. Synonyms: BUTTPARK 33\06-72;4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE
    3. CAS NO:40753-14-8
    4. Molecular Formula: C9H8N2S
    5. Molecular Weight: 176.24
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 40753-14-8.mol
  • Chemical Properties

    1. Melting Point: 73 °C
    2. Boiling Point: 299.9°C at 760 mmHg
    3. Flash Point: 133.3°C
    4. Appearance: /
    5. Density: 1.199g/cm3
    6. Vapor Pressure: 0.00206mmHg at 25°C
    7. Refractive Index: 1.599
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE(40753-14-8)
    12. EPA Substance Registry System: 4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE(40753-14-8)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 40753-14-8(Hazardous Substances Data)

40753-14-8 Usage

Uses

Used in Pharmaceutical Industry:
4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE is used as a key intermediate in the synthesis of pharmaceutical compounds for its potential biological activity. Its unique structure allows for the development of new drugs with therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical field, 4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE is utilized as a building block for the creation of agrochemicals, such as pesticides and herbicides, due to its potential to enhance the effectiveness of these products.
Used in Materials Science:
4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE is employed in materials science for the development of new materials with specific properties. Its unique structure contributes to the creation of materials with potential applications in various industries.
Further research and exploration of 4-(4-METHYLPHENYL)-1,2,3-THIADIAZOLE's potential applications are ongoing, indicating its significance in the scientific community for future advancements in these fields.

Check Digit Verification of cas no

The CAS Registry Mumber 40753-14-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,7,5 and 3 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 40753-14:
(7*4)+(6*0)+(5*7)+(4*5)+(3*3)+(2*1)+(1*4)=98
98 % 10 = 8
So 40753-14-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H8N2S/c1-7-2-4-8(5-3-7)9-6-12-11-10-9/h2-6H,1H3

40753-14-8Relevant articles and documents

Synthesis method of 1, 2, 3-thiadiazole derivative

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Paragraph 0109-0142, (2021/08/28)

The invention belongs to the technical field of compound preparation, and discloses a synthesis method of a 1, 2, 3-thiadiazole derivative. The synthesis method of the 1, 2, 3-thiadiazole derivative comprises the following steps: taking an N-tosylhydrazon

Selective transformations of 2-(p-toluenesulfonyl)-N-tosylhydrazones to substituted 1,2,3-thiadiazoles

Feng, Yijiao,He, Jing,Li, Weiwei,Yang, Zhen,Wei, Yueting,Liu, Ping,Zhao, Jixing,Gu, Chengzhi,Wang, Wenli

supporting information, (2020/12/09)

Selective transformations of 2-(p-toluenesulfonyl)-N-tosylhydrazones with different sulfur sources have been established. A series of 4-aryl-1,2,3-thiadiazoles and novel 4-aryl-5-tosyl-1,2,3-thiadiazoles were selectively constructed by the adjustment of reaction conditions. These protocols feature short reaction time, good compatibility of functional group, easily available materials, and good selectivity.

Diiiodine/Potassium Persulfate Mediated Synthesis of 1,2,3-Thiadiazoles from N -Tosylhydrazones and a Thiocyanate Salt as a Sulfur Source under Transition-Metal-Free Conditions

Lu, Yuhan,Sun, Yadong,Abdukader, Ablimit,Liu, Chenjiang

supporting information, p. 1044 - 1048 (2021/05/05)

A highly efficient method for the synthesis of 1,2,3-thiadiazoles has been developed by utilizing readily available tosylhydrazones and ammonium thiocyanate with ecofriendly EtOH as the solvent at room temperature. The reaction shows a wide scope of subst

Perylenequinonoid-Catalyzed [4 + 1] and [4 + 2] Annulations of Azoalkenes: Photocatalytic Access to 1,2,3-Thiadiazole/1,4,5,6-Tetrahydropyridazine Derivatives

Zhang, Yan,Cao, Yuan,Lu, Liushen,Zhang, Shiwei,Bao, Wenhao,Huang, Shuping,Rao, Yijian

, p. 7711 - 7721 (2019/06/17)

Nitrogen-containing heterocycles are especially considered "privileged" structural scaffolds for the development of new drugs. However, traditional methods of organic synthesis are mainly based on thermal cycloaddition reaction; thus, the exploration of n

Metal- and Oxidant-free Electrosynthesis of 1,2,3-Thiadiazoles from Element Sulfur and N-tosyl Hydrazones

Mo, Shi-Kun,Teng, Qing-Hu,Pan, Ying-Ming,Tang, Hai-Tao

supporting information, p. 1756 - 1760 (2019/02/24)

A metal- and oxidant-free electrochemical method for synthesizing 1,2,3-thiadiazoles by inserting element sulfur into N-tosyl hydrazones is reported. This electrochemical transformation engages electrons as reagents to achieve redox processes, and avoid e

I2/CuCl2-promoted one-pot three-component synthesis of aliphatic or aromatic substituted 1,2,3-thiadiazoles

Wang, Can,Geng, Xiao,Zhao, Peng,Zhou, You,Wu, Yan-Dong,Cui, Yan-Fang,Wu, An-Xin

supporting information, p. 8134 - 8137 (2019/07/15)

An efficient I2/CuCl2-promoted one-pot three-component strategy for the construction of 1,2,3-thiadiazoles from aliphatic- or aromatic-substituted methyl ketones, p-toluenesulfonyl hydrazide, and potassium thiocyanate has been develo

Preparation method of thiadiazole containing aryl group and alkyl group

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Paragraph 0025-0029, (2019/08/30)

The invention discloses a preparation method of thiadiazole containing an aryl group and an alkyl group. Methyl ketone, p-toluenesulfonhydrazide and potassium thiocyanate which are used as a substrateundergo a three-component one-pot reaction in DMSO used

Cascade Trisulfur Radical Anion (S3?-) Addition/Electron Detosylation Process for the Synthesis of 1,2,3-Thiadiazoles and Isothiazoles

Liu, Bei-Bei,Bai, Hui-Wen,Liu, Huan,Wang, Shun-Yi,Ji, Shun-Jun

, p. 10281 - 10288 (2018/07/25)

Trisulfur radical anion (S3?-) mediated reactions with in situ formed azoalkenes and α,β-usaturated N-sulfonylimines for the construction of 1,2,3-thiadiazoles and isothiazoles has been developed. S3?- is in situ generated from potassium sulfide in DMF. These two approaches provide a new, safe, and simple way to construct 4-subsituted 1,2,3-thiadiazoles, 5-subsituted 1,2,3-thiadiazoles, and isothiazole in good yields. The reactions include the formation of the new C-S and N-S bonds via S3?- addition and electron detosylation under mild conditions.

Coupled Flavin-Iodine Redox Organocatalysts: Aerobic Oxidative Transformation from N-Tosylhydrazones to 1,2,3-Thiadiazoles

Ishikawa, Tatsuro,Kimura, Maasa,Kumoi, Takuma,Iida, Hiroki

, p. 4986 - 4989 (2017/08/17)

A bioinspired two-component redox organocatalyst system using 1,10-bridged flavinium and NH4I was developed to perform environmentally friendly aerobic oxidative ring formation of 1,2,3-thiadiazoles from N-tosylhydrazones and sulfur. The redox

Stereochemistry and mechanistic insights in the [2t + 2i + 2i] annulations of thioketenes and imines

He, Wei,Zhuang, Junpeng,Du, Hongguang,Yang, Zhanhui,Xu, Jiaxi

, p. 9424 - 9432 (2017/11/22)

Stereochemical models and mechanistic insights are proposed for [2t + 2i + 2i] annulations of thioketenes and imines on the basis of experimental and computational investigations. In the [2t + 2i + 2

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