936-77-6

Basic information

• Product Name: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI)
• Synonyms: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI);2-ethylbenzo[d]thiazole;Benzothiazole, 2-ethyl-;2-Ethylbenzothiazole
• CAS NO: 936-77-6
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.24
• Product Categories: BENZOTHIAZOLE
• Mol File: 936-77-6.mol
• Article Data: 7

Chemical Properties

• Melting Point: 62-63 °C(Solv: cyclohexane (110-82-7))
• Boiling Point: 252 °C
• Appearance: /
• Density: 1.1368 g/cm3
• Storage Temp.: 2-8°C
• PKA: 1.55±0.10(Predicted)
• CAS DataBase Reference: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI)(936-77-6)
• EPA Substance Registry System: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI)(936-77-6)

Safety Data

• Hazardous Substances Data: 936-77-6(Hazardous Substances Data)

Usage

Description

Benzothiazole, 2-ethyl(6CI,7CI,8CI,9CI) is an organic compound that belongs to the benzothiazole family. It is characterized by the presence of a thiazole ring fused to a benzene ring, with an ethyl group attached at the 2nd position. Benzothiazole, 2-ethyl(6CI,7CI,8CI,9CI) exhibits unique chemical and biological properties, making it a versatile building block in the synthesis of various pharmaceuticals and agrochemicals.

Uses

Used in Pharmaceutical Industry:
Benzothiazole, 2-ethyl(6CI,7CI,8CI,9CI) is used as a key intermediate in the synthesis of benzofuran, benzothiophene, and benzothiazole-based thioamides. These compounds are known as KATP channel openers, which play a crucial role in regulating the flow of potassium ions across cell membranes. They have potential applications in the treatment of various cardiovascular diseases, such as angina pectoris and hypertension, by promoting vasodilation and reducing the workload on the heart.
Used in Agrochemical Industry:
In addition to its pharmaceutical applications, Benzothiazole, 2-ethyl(6CI,7CI,8CI,9CI) can also be utilized in the agrochemical industry. It serves as a starting material for the synthesis of various bioactive compounds, such as insecticides, fungicides, and herbicides. These agrochemicals are essential for protecting crops from pests and diseases, ensuring food security and agricultural productivity.

Upstream product

• 905-97-5 N,N'-diethylthiacarbocyanine iodide 
• 909-63-7 3,3',9-triethylthiacarbocyanine iodide 
• 61878-83-9 3,3'-diethyl-9-methoxythiacarbocyanine iodide 
• 3065-79-0 3-ethyl-2-[3-(3-ethyl-3H-2-benzothiazolylidene)-2-methyl-1-propenyl] benzothiazolium iodide 
• 61878-84-0 3,3'-diethyl-9-aminothiacarbocyanine iodide 
• 1742-91-2 3-Methyl-2-{(E)-3-[3-methyl-3H-benzothiazol-(2E)-ylidene]-propenyl}-benzothiazol-3-ium; iodide 
• 62630-96-0 2-{(Z)-2-Ethoxy-3-[3-ethyl-3H-benzothiazol-(2Z)-ylidene]-propenyl}-3-ethyl-benzothiazol-3-ium; iodide 
• 102968-89-8 2-methylthio-N-allylaniline 
• 102968-92-3 2-isopropylthio-N-allylaniline 
• 102968-93-4 2-(N-allyl)amino-S-allylthiophenol 
• 102968-90-1 2-ethylthio-N-allylaniline 
• 102968-91-2 2-propylthio-N-allylaniline 
• 109532-92-5 2,3-Dihydro-2-phenyl-5-propionyl-1,5-benzothiazepin-4(5H)-on 
• 300396-83-2 1-(benzothiazol-2-ylthio)-2-(4-methylphenyl)ethene 

Downstream Products

• 17142-91-5 2,3-diethyl-benzothiazolium; toluene-4-sulfonate 
• 1629-78-3 2-acetylbenzothiazole 
• 24053-10-9 2-ethyl-3-phenethyl-benzothiazolium; iodide 
• 24053-06-3 3-benzyl-2-ethyl-benzothiazolium; iodide 
• 1774-78-3 9,10-Dihydro-6-methyl-azepino<2.1-b>benzothiazol-7,8,9,10-tetracarbonsaeure-tetramethylester 
• 2786-39-2 2-ethyl-3-methylbenzo[d]thiazol-3-ium 4-toluenesulfonate 
• 17142-80-2 6-Nitro-2-ethyl-benzthiazol 
• 17626-86-7 2-isopropyl-benzothiazole 
• 125414-97-3 2-(1-Trimethylsilanyloxy-ethyl)-benzothiazole 
• 91258-39-8 C₃₄H₄₈N₂S₂ 
• 132607-29-5 2-(2-benzothiazolyl)-3-pentanone 
• 132607-28-4 2-<1-(2-benzothiazolyl)ethyl>cyclohexanol 
• 65343-27-3 1-p-chlorophenyl-2-(2-benzothiazolyl)propan-1-ol 
• 65343-27-3 1-p-chlorophenyl-2-(2-benzothiazolyl)propan-1-ol 

Relevant articles and documents

Stereoselective synthesis of tetrasubstituted 2,3-dihydrofurans by one-step cyclization of β-ketosulfides of benzothiazole and aldehydes in ionic liquids

A stereoselective synthesis of tetrasubstituted 2,3-dihydrofurans was carried out in n-butylpyridinium tetrafluoroborate ([bpy+][BF4-]) as solvent. The reaction proceeds smoothly in one step starting from simple materials

Reactions of (Benzothiazol-2-ylthio)(trimethylsilyl)methane. A General Method for α-Mercaptoalkylation by Alkylation and Alkylative Desilylation

Readily available (benzothiazol-2-ylthio)(trimethylsilyl)methane (2a) provides a convenient synthon for HSCH2- and enables the general conversions RR'CO -> RR'C(OH)CH(SH)R'' and RBr -> RCH(SH)SiMe3.The lithium derivative of 2a reacts with aldehydes and ketones to give Peterson olefination products which are protected vinyl mercaptans converted into vinyl mercaptans by reaction with methyllithium.This overall conversion is RR'CO -> RR'C:CHSH.

Pyrolyses of o-Alkoxy- and o-Alkylthio-N-Allylanilines and of Some Related O- and S-Allyl Compounds

The o-substituted allyl compounds (1)-(12) have been pyrolysed in order to generate aminyl, phenoxyl, and thiophenoxyl radicals with adjacent substituents.In all cases, products are formed by intramolecular hydrogen transfer from the substituent to the radical centre.This process may be followed by rearrangement to give an aldehyde, by heteroatom extrusion to give an alkene, or by ring formation to give five-membered ring heterocycles (Scheme 1, routes A, B1, and B2 respectively.The distribution of products formed by each route is dependent both on the nature of the o-substituent, and on the nature of the initial radical.