22726-30-3

Basic information

• Product Name: 7-METHOXY-1,4-BENZOTHIAZIN-3-ONE
• Synonyms: 7-METHOXY-1,4-BENZOTHIAZIN-3(4H)-ONE;7-METHOXY-1,4-BENZOTHIAZIN-3-ONE;7-METHOXY 2H[1,4]BENZOTHIAZIN 3(4H)-ONE;7-Methoxy-1,4-Benzothiazine-3-One;7-Methoxy-2H-benzo[b][1,4]thiazin-3(4H);7-Methoxy-2H-benzo[b][1,4]thiazin-3(4H)-one
• CAS NO: 22726-30-3
• Molecular Formula: C₉H₉NO₂S
• Molecular Weight: 195.24
• Product Categories: API intermediates;Building Blocks;Heterocyclic Building Blocks;Thiazines
• Mol File: 22726-30-3.mol
• Article Data: 7

Chemical Properties

• Melting Point: 183-187 °C(lit.)
• Boiling Point: 395.7°Cat760mmHg
• Flash Point: 193.1°C
• Appearance: /
• Density: 1.282g/cm³
• Vapor Pressure: 1.81E-06mmHg at 25°C
• Refractive Index: 1.6
• Solubility: soluble in Methanol
• PKA: 12.41±0.20(Predicted)
• CAS DataBase Reference: 7-METHOXY-1,4-BENZOTHIAZIN-3-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-METHOXY-1,4-BENZOTHIAZIN-3-ONE(22726-30-3)
• EPA Substance Registry System: 7-METHOXY-1,4-BENZOTHIAZIN-3-ONE(22726-30-3)

Safety Data

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37
• WGK Germany: 3
• Hazardous Substances Data: 22726-30-3(Hazardous Substances Data)

Usage

General Description

7-Methoxy-1,4-benzothiazin-3-one is a chemical compound classified under the benzo[b][1,4]thiazin-3-ones family. 7-METHOXY-1,4-BENZOTHIAZIN-3-ONE is also categorized as an aromatic ether, characterized with an ether group, specifically, a methoxy group, attached to an aromatic ring. Its chemical structure also consists of a 1,4-benzothiazin-3-one ring, which makes it a potential pharmacophore due to its resemblance to the chemical structure of some pharmaceutical and bioactive compounds. Its properties and potential applications are subjects of scientific research.

InChI:InChI=1/C9H9NO2S/c1-12-6-2-3-7-8(4-6)13-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)

Upstream product

• 104-94-9 4-methoxy-aniline 
• 79-11-8 chloroacetic acid 
• 1747-60-0 6-methoxybenzothiazol-2-ylamine 
• 105-36-2 ethyl bromoacetate 
• 6274-29-9 2-amino-5-methoxy-thiophenol 
• 598-21-0 2-Bromoacetyl bromide 
• 1658-03-3 4-Methoxy-2-methylsulfenylaniline 
• 7732-36-7 bis(2-amino-5-methoxyphenyl)disulfide 
• 10021-77-9 2,2'-disulfanediyldiacetylchloride 
• 105-39-5 chloroacetic acid ethyl ester 
• 73011-26-4 6-methoxy-3H-benzo[d][1,2,3]dithiazole 2-oxide 
• 79-04-9 chloroacetyl chloride 

Downstream Products

• 105763-63-1 N-cyclohexyl-N-methyl-4-[(2,3-dihydro-3-oxo-2H-1,4-benzothiazin-7-yl)oxy]butyramide 
• 128765-50-4 4-Benzyl-7-hydroxy-4H-benzo[1,4]thiazin-3-one 
• 128765-35-5 7-(3,4-Diamino-phenoxy)-4H-benzo[1,4]thiazin-3-one 
• 128765-51-5 4-(4-Chloro-benzyl)-7-hydroxy-4H-benzo[1,4]thiazin-3-one 
• 128765-36-6 7-(3,4-Diamino-phenoxy)-4-methyl-4H-benzo[1,4]thiazin-3-one 
• 128765-30-0 7-(3-Amino-4-nitro-phenoxy)-4H-benzo[1,4]thiazin-3-one 
• 128765-37-7 7-(3,4-Diamino-phenoxy)-4-ethyl-4H-benzo[1,4]thiazin-3-one 
• 128765-31-1 7-(3-Amino-4-nitro-phenoxy)-4-methyl-4H-benzo[1,4]thiazin-3-one 
• 128765-38-8 4-Benzyl-7-(3,4-diamino-phenoxy)-4H-benzo[1,4]thiazin-3-one 
• 128765-25-3 5-(3-oxo-1,4-benzothiazin-7-yloxy)-2-nitroacetanilide 
• 128765-32-2 7-(3-Amino-4-nitro-phenoxy)-4-ethyl-4H-benzo[1,4]thiazin-3-one 
• 128765-39-9 4-(4-Chloro-benzyl)-7-(3,4-diamino-phenoxy)-4H-benzo[1,4]thiazin-3-one 
• 128765-26-4 N-[5-(4-Methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-7-yloxy)-2-nitro-phenyl]-acetamide 
• 128765-33-3 7-(3-Amino-4-nitro-phenoxy)-4-benzyl-4H-benzo[1,4]thiazin-3-one 

Relevant articles and documents

Impact of microwave radiations on macrocyclization reactions: Solvent free synthesis of 1,4-benzothiazin-3-one derivatives on basic alumina

A rapid transformation of alkyl and arylalkyl amino phenyl thioethers (2-alkylsulphanyl-phenylamine) into 7-substituted 1,4-benzothiazines in presence of basic-alumina under solvent free conditions using microwave irradiation has been described. The specific microwave effects are due to increase in polarity during the course of reaction.

[NO3], a green and base-free medium for one-pot synthesis of benzothiazinones at room temperature

A general and efficient room-temperature procedure is developed for high-yield synthesis of 2H-benzo[b][1,4]thiazin-3(4H)-one derivatives in one pot from the reaction of 2-aminothiophenols with 2-bromoalkanoates in ionic liquid [bmim]NO3 without the use of any catalyst, base, or additive. Products were obtained in good yields by simple extraction with Et2O followed by evaporation of the volatile contents and recrystallization from Et2O. The ionic liquid was recycled and reused in the next reaction without the loss of its activity.

Designer ligands. Part 4. Synthesis of acyclic and macrocyclic platinum group metal-specific ligands

Synthetic pathways to a range of novel, polydentate, sulfur-containing, mono-amide ligands, designed to coordinate platinum group metals, have been developed.Access to the tetradentate systems was facilitated by the extensive use of disulfide linkages as a protection strategy.