15901-51-6

Basic information

• Product Name: ethyl 3-methylisothiazole-4-carboxylate
• Synonyms: ethyl 3-Methyl-1,2-thiazole-4-carboxylate;Ethyl 3-methyl-1,2-thiazole-4-carboxylate, 4-(Ethoxycarbonyl)-3-methyl-1,2-thiazole;ethyl 3-methyl-1,2-thiazole-4-carboxylate, 3-methyl-isothiazole-4-carboxylic acid ethyl ester, 3-Methyl-isothiazol-carbonsaeure-(4)-aethylester, 3-Methyl-4-isothiazolcarbonsaeureaethylester, Ethyl-3-methyl-4-isothiazolcarboxylat
• CAS NO: 15901-51-6
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.219
• Mol File: 15901-51-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 102-103 °C(Press: 8 Torr)
• Appearance: /
• Density: 1.198±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.72±0.22(Predicted)
• CAS DataBase Reference: ethyl 3-methylisothiazole-4-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 3-methylisothiazole-4-carboxylate(15901-51-6)
• EPA Substance Registry System: ethyl 3-methylisothiazole-4-carboxylate(15901-51-6)

Safety Data

• Hazardous Substances Data: 15901-51-6(Hazardous Substances Data)

Usage

Description

Ethyl 3-methylisothiazole-4-carboxylate is a chemical compound that belongs to the family of isothiazole derivatives. It is characterized by its strong, fruity odor with citrus and tropical fruit notes, making it a popular choice as a fragrance ingredient in various personal care products and household goods. This versatile chemical also serves as a flavoring agent in food and beverages, imparting a sweet, fruity flavor. Furthermore, its antimicrobial properties contribute to the preservation and extension of the shelf life of consumer products.

Uses

Used in Fragrance Industry:
Ethyl 3-methylisothiazole-4-carboxylate is used as a fragrance ingredient for its strong, fruity odor with citrus and tropical fruit notes. It is employed to impart a fresh and clean scent to products such as soaps, shampoos, and detergents.
Used in Flavor Industry:
In the flavor industry, ethyl 3-methylisothiazole-4-carboxylate is used as a flavoring agent, adding a sweet, fruity flavor to food and beverages.
Used in Preservation Industry:
Ethyl 3-methylisothiazole-4-carboxylate is utilized for its antimicrobial properties, making it useful in preserving and extending the shelf life of consumer products.

Upstream product

• 626-34-6 ethyl aminocrotonate 
• 68-12-2 N,N-dimethyl-formamide 
• 64-17-5 ethanol 
• 58850-81-0 3‐methyl‐1,2‐thiazole‐4‐carbonitrile 
• 10284-34-1 3-methyl-isothiazole-4-carbonyl chloride 
• 15903-66-9 3-methyl-isothiazole-4-carboxylic acid 
• 41867-20-3 ethyl (E)-3-aminobut-2-enoate 
• 876191-55-8 ethyl 3-amino-2-methanethioylbut-2-enoate 
• 92498-49-2 1-(3-methyl-isothiazole-4-carbonyl)-1,2-dihydro-quinoline-2-carbonitrile 
• 17265-59-7 3-methyl-isothiazole-4-carbaldehyde 

Downstream Products

• 15903-66-9 3-methyl-isothiazole-4-carboxylic acid 

Relevant articles and documents

Discovery of (+)-N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2] thiazolo[5,4- d ]pyrimidin-6-yl)-2-methylpropyl]-4-methylbenzamide (AZD4877), a kinesin spindle protein inhibitor and potential anticancer agent

Structure-activity relationship analysis identified (+)-N-(3-aminopropyl)- N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl) -2-methylpropyl]-4-methylbenzamide (AZD4877), from a series of novel kinesin spindle protein (KSP) inhibitors, as exhibiting both excellent biochemical potency and pharmaceutical properties suitable for clinical development. The selected compound arrested cells in mitosis leading to the formation of the monopolar spindle phenotype characteristic of KSP inhibition and induction of cellular death. A favorable pharmacokinetic profile and notable in vivo efficacy supported the selection of this compound as a clinical candidate for the treatment of cancer.