54986-94-6

Basic information

• Product Name: [2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL
• Synonyms: [2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL;[2-(2-Tienyl)-1,3-thiazol-4-yl]methanol, 95+%;2-(2-thienyl)-4-Thiazolemethanol
• CAS NO: 54986-94-6
• Molecular Formula: C8H7NOS2
• Molecular Weight: 197.28
• Mol File: 54986-94-6.mol

Chemical Properties

• Melting Point: 87℃
• Boiling Point: 388.8°C at 760 mmHg
• Flash Point: 189°C
• Appearance: /
• Density: 1.401g/cm³
• Vapor Pressure: 9.63E-07mmHg at 25°C
• Refractive Index: 1.663
• CAS DataBase Reference: [2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: [2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL(54986-94-6)
• EPA Substance Registry System: [2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL(54986-94-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26
• Hazardous Substances Data: 54986-94-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
[2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL is used as a key intermediate in the synthesis of various pharmaceuticals due to its unique chemical structure and potential biological activities. Its presence in the molecular structure of drugs can enhance their efficacy and pharmacological properties, making it a crucial component in drug development.
Used in Agrochemical Synthesis:
In the agrochemical industry, [2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL is used as a building block for the development of new agrochemicals. Its incorporation into the molecular structure of these chemicals can improve their effectiveness in pest control, crop protection, and other agricultural applications.
Used in Organic Synthesis:
As a thiazole derivative with structural diversity, [2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL is used as a versatile building block in organic synthesis. It can be employed in the creation of a wide range of organic compounds, contributing to the development of new materials and chemicals with various applications in different industries.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, [2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL is used for its potential biological activities. Researchers utilize this compound in the design and development of new drugs, targeting various diseases and medical conditions. Its unique structure and properties make it a promising candidate for further exploration and application in medicinal chemistry.
Used in Materials Science:
[2-(2-THIENYL)-1,3-THIAZOL-4-YL]METHANOL also finds application in materials science, where it can be used to develop new materials with specific properties. Its incorporation into the molecular structure of these materials can enhance their performance, making them suitable for various applications, such as in electronics, coatings, and other advanced technologies.

InChI:InChI=1/C8H7NOS2/c10-4-6-5-12-8(9-6)7-2-1-3-11-7/h1-3,5,10H,4H2

Upstream product

• 24043-97-8 ethyl 2-(thiophen-2-yl)thiazole-4-carboxylate 
• 6704-31-0 oxetan-3-one 
• 20300-02-1 thiophene-2-carbothioamide 
• 5813-89-8 2-thiophenylcarboxamide 
• 54679-75-3 4-chloromethyl-2-thiophen-3-yl-oxazole 

Downstream Products

• 54679-16-2 4-(chloromethyl)-2-(thiophen-2-yl)-1,3-thiazole 

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The direct microwave-mediated condensation between 3-oxetanone and primary amides and thioamides has delivered moderate to good yields of (hydroxymethyl)oxazoles and (hydroxymethyl)thiazoles. The reactions use a sustainable solvent and only require short reaction times. These are highly competitive methods for the construction of two classes of valuable heteroarenes, which bear a useful locus for further elaboration. Electronic structure calculations have shown that the order of events involves chalcogen atom attack at sp3 carbon and alkyl-oxygen cleavage. The critical role of acid catalysis was shown clearly, and the importance of acid strength was demonstrated. The calculated barriers were also fully consistent with the observed order of thioamide and amide reactivity. Spontaneous ring opening involves a modest degree of C-O cleavage, moderating the extent of strain relief. On the acid-catalysed pathway, C-O cleavage is less extensive still, but proton transfer to the nucleofuge is well advanced with the carboxylic acid catalysts, and essentially complete with methanesulfonic acid. Open sesame: The direct microwave-mediated condensation between 3-oxetanone and primary amides and thioamides has delivered moderate to good yields of oxazoles and thiazoles. The reactions use a sustainable solvent, require only short reaction times and represent a highly competitive method for the construction of two classes of valuable heteroarenes. Electronic structure calculations have been used to probe a range of potential reaction mechanisms (see figure). Copyright

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