63321-86-8

Basic information

• Product Name: Benzothiazole, 2-methoxy- (7CI,9CI)
• Synonyms: Benzothiazole, 2-methoxy- (7CI,9CI);2-Methoxy-1,3-benzothiazole;Benzothiazole, 2-methoxy-;Inchi=1/C8H7nos/C1-10-8-9-6-4-2-3-5-7(6)11-8/H2-5H,1h
• CAS NO: 63321-86-8
• Molecular Formula: C₈H₇NOS
• Molecular Weight: 165.21228
• Product Categories: BENZOTHIAZOLE
• Mol File: 63321-86-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 34-38°C
• Boiling Point: 248.7°C at 760 mmHg
• Flash Point: 110℃
• Appearance: /
• Density: 1.268g/cm³
• Vapor Pressure: 0.0377mmHg at 25°C
• Refractive Index: 1.645
• PKA: 2.11±0.10(Predicted)
• CAS DataBase Reference: Benzothiazole, 2-methoxy- (7CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2-methoxy- (7CI,9CI)(63321-86-8)
• EPA Substance Registry System: Benzothiazole, 2-methoxy- (7CI,9CI)(63321-86-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26
• RIDADR: UN 3335
• WGK Germany: 3
• Hazardous Substances Data: 63321-86-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H7NOS/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3

Upstream product

• 615-20-3 2-chlorobenzo[d][1,3]thiazole 
• 7144-49-2 2-methanesulfonylbenzothiazole 
• 124-41-4 sodium methylate 
• 13509-41-6 methyl N-phenylthiocarbamate 
• 1123-99-5 2-iodobenzothiazole 
• 23505-64-8 2-nitrobenzothiazole 
• 865-33-8 potassium methanolate 
• 865-34-9 lithium methanolate 
• 615-22-5 2-methylmercaptobenzothiazole 
• 136-95-8 2-amino-benzthiazole 
• 67-56-1 methanol 
• 24045-02-1 (benzothiazole-2-sulfonyl)-acetic acid ethyl ester 
• 79-22-1 methyl chloroformate 
• 137-07-5 2-amino-benzenethiol 

Downstream Products

• 70292-64-7 2-ethoxy-1,3-benzothiazole 
• 4308-10-5 2-methoxy-6-nitrobenzo[d]thiazole 
• 4614-21-5 3-(2-oxo-2-phenyl-ethyl)-3H-benzothiazol-2-one 
• 5316-87-0 3-(4-nitrobenzyl)benzo[d]thiazol-2(3H)-one 
• 95793-39-8 2,2-bis(2-methyl-2-propenyl)benzothiazoline 
• 95793-42-3 2,2'-dithiodi-aniline 
• 109948-61-0 2-Allenylbenzothiazole 
• 95793-38-7 2-α-methylallylbenzothiazole 
• 95793-40-1 2,2-bis(1-methyl-2-propenyl)benzothiazoline 
• 95833-04-8 2,2'-dithiodi-aniline 
• 6278-70-2 2-(2-propenyl)benzothiazole 
• 95793-41-2 2,2-bis(2-propenyl)benzothiazoline 
• 95793-43-4 2,2'-dithiodi-aniline 
• 28620-12-4 6-nitro-2(3H)-benzothiazolone 

Relevant articles and documents

Metal- And Oxidant-Free Electrochemical Oxidative Desulfurization C-O Coupling of Thiourea-Type Compounds with Alcohols

An efficient desulfurization C-O coupling reaction of 3,4-dihydropyrimidine-2(1 H)-thiones (including thioureas) with alcohols was developed under electrochemical oxidation conditions. Herein, transition--metal catalysts and additives are not required and

Thieme chemistry journal awardees - Where are they now? Stereoselective synthesis of z-configured α,β-unsaturated macrocyclic lactones and diolides by intramolecular julia-kocienski olefination

ω-Sulfonyl aldehydes derived from the esterification of (benzothiazol-2-ylsulfonyl)acetic acid with either ω-alkenols or α, ω-diols, followed by ozonolysis or Dess-Martin oxidation as appropriate, underwent intramolecular Julia-Kocienski olefination when treated with DBU. Macrocyclic α,β-unsaturated lactones of between 12- and 19-membered ring sizes were formed successfully using this tactic (24-44% yield, Z/E ≥ 3.5:1); however, diolides were selectively produced from precursors intended to target seven- to nine-membered-ring lactones (13-70% yield, ZZ/ZE ≥ 2:1). Georg Thieme Verlag Stuttgart New York.

Method for preparing 4-substituted-N-methylbenzothiazolone derivatives

A process for producing N-alkylbenzothiazolone derivatives of the formula (I), STR1 wherein R1 is a hydrogen, chlorine, bromine, fluorine atom or a methyl group, and R2 is an alkyl group having 1 to 5 carbon atoms, from 2-halogenobenzothiazole derivatives of the formula (II), STR2 wherein R1 is as defined above and X is a chlorine, bromine or fluorine atom, which is a starting material, through the intermediate of 2-alkoxybenzothiazole derivatives of the formula (III), STR3 wherein R1 and R2 are as defined above, or benzothiazolone derivatives of the formula (IV), STR4 wherein R1 is as defined above.