Lot numbers can be found on the outside label of a product:
1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide
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CAS No. 111248-89-6
- Cat. No. CS-0038994
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
![1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide|CS-0038994](https://file.chemscene.com/productPIC/CS-0038994.gif)
Structure of 111248-89-6
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General Information
- CAS No. 111248-89-6
- Cat. No. CS-0038994
- Purity ≥97%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₇NO₂S
- Molecular Weight 169.20
- Synonym(s) 1,3-DIHYDRO-2,1-BENZISOTHIAZOLE 2,2-DIOXIDE
- SMILES C1=CC2=C(C=C1)NS(=O)(=O)C2
Description
This bench-stable heterocycle features a fused bicyclic core with a sulfonyl group enhancing solubility and electronic modulation. The electron-deficient isothiazole ring facilitates nucleophilic substitution, enabling direct functionalization in late-stage synthesis.
Application
1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide serves as a stable, bench-ready heterocyclic building block for medicinal chemistry and catalytic synthesis. Its sulfonamide-like electronic profile enables selective functionalization at the 5- and 6-positions, while the fused benzene ring enhances metabolic stability. The compound exhibits excellent tolerance to diverse reaction conditions, facilitating downstream derivatization in cross-coupling, nucleophilic substitution, and cycloaddition workflows.
Synthesis
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Route1
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In-stock
89665-79-2 - ~80%
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In-stock
111248-89-6
References
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MERCK PATENT GMBH; CANCER RESEARCH TECHNOLOGY LIMITED; SCHIEMANN, kai; STIEBER, Frank; BLAGG, Julian; MALLINGER, Aurelie; WAALBOER, Dennis; RINK, Christian; CRUMPLER, Simon Ross Patent: WO2014/63778 A1, 2014 ; Location in patent: Page/Page column 43 ;
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Route2
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24974-75-2 - ~6%
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In-stock
111248-89-6
References
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Bersot, Ross; Humphries, Paul Patent: US2013/303524 A1, 2013 ; Location in patent: Paragraph 0270-0271 ;
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Route3
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In-stock
3958-60-9 - ~%
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In-stock
111248-89-6
References
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DR.REDDY'S LABORATORIES LTD.; SASMAL, Pradip Kumar; VAMSEEKRISHNA, Chintakunta; POTLURI, Vijay; TEHIM, Ashok; GAI, Yonghua; ZHANG, Hang Patent: WO2013/131408 A1, 2013 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.17
- LogP 0.9419
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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