7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide

Base Information

• Chemical Name: 7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide
• CAS No.: 567-19-1
• Molecular Formula: C7H4ClNO2S
• Molecular Weight: 201.633
• Hs Code.: 2934991000
• Mol file: 567-19-1.mol

Synonyms:3-Chloro-1,2-benzisothiazole1,1-dioxide;3-Chloro-1H-benzo[d]isothiazole-1,1-dione;3-Chlorobenzisothiazole1,1-dioxide;3-Chlorobenzo[d]isothiazole 1,1-dioxide;NSC 49757;Pseudosaccharin chloride;Pseudosaccharyl chloride;Saccharin chloride;Saccharin pseudochloride;g-Saccharin chloride;

Chemical Property of 7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide

Chemical Property:

• Appearance/Colour: colorless solid
• Vapor Pressure: 1.5E-05mmHg at 25°C
• Melting Point: 145-147 °C
• Refractive Index: 1.695
• Boiling Point: 377.1 °C at 760 mmHg
• PKA: -7.40±0.20(Predicted)
• Flash Point: 181.9 °C
• PSA: 54.88000
• Density: 1.64 g/cm³
• LogP: 1.89070

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-1lambda6,2-benzothiazole-1,1-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide

There total 9 articles about 7-chloro-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene 9,9-dio xide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

saccharin (81-07-2) → 3-chloro-1,2-benzisothiazole 1,1-dioxide (567-19-1)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In 1,4-dioxane; for 24h; Reflux;

Reference yield: 91.0%

1,2-benzoisothiazole 1,1-dioxide (5669-05-6) → 3-chloro-1,2-benzisothiazole 1,1-dioxide (567-19-1)

Guidance literature:

With phosphorus pentachloride; In chlorobenzene; at 10 - 130 ℃; for 3h;

Reference yield: 49.0%

→ 3-chloro-1,2-benzisothiazole 1,1-dioxide (567-19-1)

Guidance literature:

upstream raw materials:

saccharin

1,2-benzoisothiazole 1,1-dioxide

phosphorus pentachloride

thionyl chloride

Downstream raw materials:

[2-(1,1-dioxo-1H-1λ⁶-benzo[d]isothiazol-3-ylamino)-phenyl]-methanol

3-Propyl-amino-1,2-benzisothiazol-1,1-dioxid

3-pentachlorophenylsulfanyl-benzo[d]isothiazole 1,1-dioxide

3-pentachlorophenoxy-benzo[d]isothiazole 1,1-dioxide

Refernces

• 1、 Cabral, Lília I. L.,Brás, Elisa M.,Henriques, Marta S. C.,Marques, Catia,Frija, Luís M. T.,Barreira, Luísa,Paix?o, José António,Fausto, Rui,Cristiano, Maria Lurdes S.. "Synthesis, Structure, and Cytotoxicity of a New Sulphanyl-Bridged Thiadiazolyl-Saccharinate Conjugate: The Relevance of S???N Interaction". . p. 3251 - 3262. Retrieved 2018.
• 2、 Amado, Patrícia S. M.,Barreira, Luísa,Cristiano, Maria L. S.,Fernandes, André L.,Guerreiro, Bruno,Leal, Joana F.,Paix?o, José A.. "On the development of selective chelators for cadmium: Synthesis, structure and chelating properties of 3-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)amino)benzo [d]isothiazole 1,1-dioxide, a novel thiadiazolyl saccharinate". . . Retrieved 2021.
• 3、 Kamble, Dhanraj P.,Shankarwar, Anil G.,Mane, Yogesh D.,Tigote, Radhakrishna M.,Sarnikar, Yuvaraj P.,Madje, Balaji R.. "Synthesis, characterization and antimicrobial evaluation of new 3-(Alkyl/Arylamino)benzo[d]isothiazole 1,1-derivatives". . p. 797 - 804. Retrieved 2021/09/08.