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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.

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  • 936-77-6 Structure
  • Basic information

    1. Product Name: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI)
    2. Synonyms: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI);2-ethylbenzo[d]thiazole;Benzothiazole, 2-ethyl-;2-Ethylbenzothiazole
    3. CAS NO:936-77-6
    4. Molecular Formula: C9H9NS
    5. Molecular Weight: 163.24
    6. EINECS: N/A
    7. Product Categories: BENZOTHIAZOLE
    8. Mol File: 936-77-6.mol
  • Chemical Properties

    1. Melting Point: 62-63 °C(Solv: cyclohexane (110-82-7))
    2. Boiling Point: 252 °C
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.1368 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 1.55±0.10(Predicted)
    10. CAS DataBase Reference: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI)(936-77-6)
    12. EPA Substance Registry System: Benzothiazole, 2-ethyl- (6CI,7CI,8CI,9CI)(936-77-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 936-77-6(Hazardous Substances Data)

936-77-6 Usage

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.

Check Digit Verification of cas no

The CAS Registry Mumber 936-77-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,3 and 6 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 936-77:
(5*9)+(4*3)+(3*6)+(2*7)+(1*7)=96
96 % 10 = 6
So 936-77-6 is a valid CAS Registry Number.

936-77-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Ethyl-1,3-benzothiazole

1.2 Other means of identification

Product number -
Other names benzothiazole,2-ethyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:936-77-6 SDS

936-77-6Relevant articles and documents

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

Calo, Vincenzo,Scordari, Fernando,Nacci, Angelo,Schingaro, Emanuela,D'Accolti, Lucia,Monopoli, Antonio

, p. 4406 - 4409 (2003)

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

Chemoselective acylation of amines in aqueous media

Naik, Sarala,Bhattacharjya, Gitalee,Talukdar, Bandana,Patel, Bhisma K.

, p. 1254 - 1260 (2007/10/03)

Amines are efficiently acylated by both cyclic and acyclic anhydrides by dissolving them in an aqueous medium with the help of a surfactant, sodium dodecyl sulfate (SDS). Cyclic and acyclic anhydrides react with equal ease with an amine, and amines with various stereo-electronic factors react at the same rates with an anhydride. Chemoselective acylation of amines in the presence of phenols and thiols and of thiols in the presence of phenols has been achieved. No acidic or basic reagents are used during the reaction. No Chromatographic separation is required for isolation of the acylated products. Reactions in a neutral aqueous medium, easy isolation of products, and innocuous by-products make the present method a green chemical process. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004.

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

Katritzky, Alan R.,Kuzmierkiewicz, Wojciech,Aurrecoechea, Jose M.

, p. 844 - 849 (2007/10/02)

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.

Complex Eliminations and Solvolyses of N-Acyl-1,5-benzothiazepin-4-ones

Kaupp, Gerd,Matthies, Doris

, p. 1741 - 1746 (2007/10/02)

The heterocyclic bisacylamines 2a-d are solvolyzed to give the 3-propionic acid derivatives 4, 5, and 6 or the heterocycle 1, which may be transformed into 5 by treating 1 with methanol and acids.The pyrolysis of 2 gives 1 by deacylation, the benzothiazoles 7 by elimination and the heterostilbene 9 by elimination.Solvent effects and reaction mechanisms are studied and discussed also in terms of suitable classifications.

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

Cadogan, J. I. G.,Hickson, Clare L.,McNab, Hamish

, p. 1885 - 1890 (2007/10/02)

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.

THERMOLYSIS AND MASS SPECTROMETRY OF meso-SUBSTITUTED THIACARBOCYANINES

Khesin, V. G.,Raikhina, R. D.,Al'perovich, M. A.,Abramenko, P. I.,Medvedeva, T. D.

, p. 168 - 174 (2007/10/02)

The pathways of fragmentation of thiacarbocyanine dyes with various electron-donor substituents in the meso position of the polymethine chain under the influence of high temperatures and electron impact were investigated.The results of thermolysis of the dyes are compared with the results of quantum-chemical calculations of the labilities of the bonds in the molecules.

INVESTIGATION OF THE PATHWAYS OF THERMAL FRAGMENTATION OF THIACARBOCYANINE DYES

Khesin, V. G.,Al'perovich, M. A.,Abramenko, P. I.

, p. 1187 - 1192 (2007/10/02)

The pathways of the thermal transformations of thiacarbocyanines with various alkyl groups attached to the ring nitrogen atoms of the heteroresidues, of 3,3'-diethylthiacarbocyanine with various anions, and its anhydro base were investigated.The results of the studies are compared with the results of quantum-chemical calculations of the labilities of the bonds in these compounds by the Pariser-Parr-Pople method.

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