90418-93-2

Basic information

• Product Name: 5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI)
• Synonyms: 5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI);2-Methyl- 5-Benzothiazolecarbonitrile;2-Methylbenzo[d]thiazole-5-carbonitrile
• CAS NO: 90418-93-2
• Molecular Formula: C₉H₆N₂S
• Molecular Weight: 174.23
• Product Categories: BENZOTHIAZOLE
• Mol File: 90418-93-2.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI)(90418-93-2)
• EPA Substance Registry System: 5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI)(90418-93-2)

Safety Data

• Hazardous Substances Data: 90418-93-2(Hazardous Substances Data)

Usage

General Description

5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI) is a chemical compound that belongs to the family of benzothiazoles. Its classification in the 7CI and 9CI indexes indicates its complex structure within this chemical category. The exact properties of this compound, such as its physical and chemical, toxicological and ecological properties, are not readily available in scientific literature; additional research would be required to fully describe these characteristics. Typically, benzothiazole derivatives are known for their medicinal properties and wide range of biological activities, which suggests potential applications for this compound in pharmaceutical industry, but specific uses for 5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI) are not defined.

Upstream product

• 557-21-1 zinc(II) cyanide 
• 1006-99-1 2-methyl-5-chloro-benzothiazole 
• 63837-11-6 5-bromo-2-methylbenzothiazole 
• 77287-34-4 formamide 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 
• 90414-61-2 5-iodo-2-methylbenzothiazole 
• 13382-43-9 2-methyl-5-aminobenzothiazole 
• 23997-94-6 2-methyl-1,3-benzoxazol-5-ol 
• 557-21-1 dicyanozinc 
• 143-33-9 sodium cyanide 

Downstream Products

• 895131-39-2 2-hydroxymethyl-1,3-benzothiazole-5-carboxylic acid 
• 150611-03-3 Ethyl 2-[4-[((3S)-1-tert-butoxycarbonyl-3-pyrrolidinyl)oxy]phenyl]-3-(5-cyano-2-benzothiazolyl)-2-ethoxycarbonylpropionate 

Relevant articles and documents

A carboxamide is the cyanogen source of aromatic nitrile to the preparation method of the (by machine translation)

The invention discloses a method for preparing aromatic nitrile, is under the action of the nickel catalyst, in order to carboxamide is the cyanogen source, and with various substituents haloarene coupled reactions, preparing aromatic nitrile. The reaction temperature is 100 - 160 °C, the reaction time is 6 - 24 hours. It overcomes the traditional aromatic nitrile of the synthesis method operation of complex steps, requires the use of a toxic, more expensive, functionalization of the cyanogen source as the reaction raw material and the like. Compared with the traditional method, this method is simple to use cheap, green non-toxic of the formamide is cyano sources; without the need of external dehydrating agent, formamide in the nickel catalyst of the catalytic dehydration at the same time, with a nickel catalyst in coordination with the halogenated aromatic hydrocyanation, more economic, high-efficiency, environmental protection; at the same time the method exhibits good substrate universality, to air, moisture, light are not sensitive, high yield, product separation and purification is simple, with wide application. (by machine translation)

Preparation method of aromatic nitrile compound or heteroaromatic nitrile compound

The invention discloses a preparation method of an aromatic nitrile compound or a heteroaromatic nitrile compound. The preparation method comprises: under the protection of an inert gas, in a solvent,under the actions of a nickel catalyst, a ligand, metal zinc and an additive, carrying out a reaction on a cyanation reagent and halogenated aromatic hydrocarbon or halogenated heteroaromatic hydrocarbon. According to the present invention, by using the inexpensive and easily-available nickel catalyst and the ligand, the halogenated aromatic hydrocarbon or halogenated heteroaromatic hydrocarbon,especially the chlorinated aromatic hydrocarbon or chlorinated heteroaromatic hydrocarbon with characteristics of low price, easy obtaining and low reaction activity can mildly and efficiently react with the cyanation reagent with low toxicity to prepare the aromatic nitrile compound or heteroaromatic nitrile compound; and the preparation method has advantages of simple operation, mildness, high efficiency and the like, and further has characteristics of good functional group compatibility, good universality of substrate and the like.

A Homogeneous Method for the Conveniently Scalable Palladium- and Nickel-Catalyzed Cyanation of Aryl Halides

Homogeneous conditions for the palladium-catalyzed cyanation of aryl halides were developed. This new system features a broad scope of aryl chlorides and bromides, uses 2-propanol or 1-butanol as solvent, and is readily scalable. The same conditions can also provide simple benzonitriles using the recently developed (TMEDA)NiCl(o-tolyl) precatalyst in conjunction with 1,1′-bis(diphenylphosphino)ferrocene (dppf) as a ligand.