Cas no 22961-84-8 (1,2-Benzisothiazol-3-amine, N,N-diethyl-)

1,2-Benzisothiazol-3-amine, N,N-diethyl-, is a heterocyclic organic compound featuring a benzisothiazole core with an amine functional group substituted by two ethyl groups. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical applications, particularly as an intermediate in the synthesis of biologically active molecules. Its diethylamino substitution enhances lipophilicity, which may improve membrane permeability in drug design. The compound’s stability and well-defined chemical properties make it suitable for controlled reactions in medicinal chemistry research. Careful handling is advised due to potential sensitivity under specific conditions. Further studies are recommended to explore its full synthetic and industrial potential.
1,2-Benzisothiazol-3-amine, N,N-diethyl- structure
22961-84-8 structure
Product Name:1,2-Benzisothiazol-3-amine, N,N-diethyl-
CAS No:22961-84-8
MF:C11H14N2S
MW:206.307260990143
CID:1412795
PubChem ID:13015533
Update Time:2025-06-06

1,2-Benzisothiazol-3-amine, N,N-diethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisothiazol-3-amine, N,N-diethyl-
    • N,N-diethyl-1,2-benzothiazol-3-amine
    • 22961-84-8
    • N,N-Diethylbenzo[d]isothiazol-3-amine
    • DTXSID10515256
    • Inchi: 1S/C11H14N2S/c1-3-13(4-2)11-9-7-5-6-8-10(9)14-12-11/h5-8H,3-4H2,1-2H3
    • InChI Key: TVKLAMQDPUVOLS-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2C(=N1)N(CC)CC

Computed Properties

  • Exact Mass: 206.08792
  • Monoisotopic Mass: 206.08776963g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • PSA: 16.13

1,2-Benzisothiazol-3-amine, N,N-diethyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A059005179-1g
N,N-Diethylbenzo[d]isothiazol-3-amine
22961-84-8 97%
1g
$639.18 2023-09-02
Alichem
A059005179-5g
N,N-Diethylbenzo[d]isothiazol-3-amine
22961-84-8 97%
5g
$1393.60 2023-09-02
Chemenu
CM515213-1g
N,N-Diethylbenzo[d]isothiazol-3-amine
22961-84-8 97%
1g
$529 2024-07-28

Additional information on 1,2-Benzisothiazol-3-amine, N,N-diethyl-

1,2-Benzisothiazol-3-amine, N,N-diethyl

The compound 1,2-Benzisothiazol-3-amine, N,N-diethyl (CAS No. 22961-84-8) is a significant organic chemical with a diverse range of applications across various industries. This compound belongs to the class of benzisothiazoles, which are known for their unique structural properties and versatile reactivity. The molecule consists of a benzene ring fused to an isothiazole ring, with an amino group substituted at the 3-position and two ethyl groups attached to the nitrogen atom. This structure imparts 1,2-Benzisothiazol-3-amine, N,N-diethyl with distinctive chemical properties that make it valuable in numerous fields.

One of the key features of 1,2-Benzisothiazol-3-amine, N,N-diethyl is its ability to act as a precursor in the synthesis of various bioactive compounds. Recent studies have highlighted its potential in drug discovery, particularly in the development of anti-inflammatory and antifungal agents. For instance, researchers have explored its role in the synthesis of novel heterocyclic compounds that exhibit potent inhibitory activity against enzymes involved in inflammatory pathways. These findings underscore the importance of 1,2-Benzisothiazol-3-amine, N,N-diethyl in advancing therapeutic interventions for chronic inflammatory diseases.

In addition to its role in pharmaceuticals, 1,2-Benzisothiazol-3-amine, N,N-diethyl has found applications in agrochemicals. Its derivatives have been investigated for their pesticidal properties, particularly as fungicides and insecticides. A recent study published in *Journal of Agricultural and Food Chemistry* demonstrated that certain derivatives of this compound exhibit high efficacy against plant pathogens such as *Fusarium graminearum* and *Botrytis cinerea*. This research highlights the potential of 1,2-Benzisothiazol-3-amine, N,N-diethyl in sustainable agriculture practices aimed at reducing crop losses due to fungal infections.

The synthesis of 1,2-Benzisothiazol-3-amine, N,N-diethyl involves a multi-step process that typically begins with the preparation of benzisothiazole derivatives. One common approach involves the reaction of benzene sulfonamide with thiourea or thioamide derivatives under specific conditions to form the benzisothiazole skeleton. Subsequent substitution reactions are then employed to introduce the amino and ethyl groups at the desired positions. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses of this compound.

From an environmental perspective, 1,2-Benzisothiazol-3-amine, N,N-diethyl has been studied for its biodegradability and toxicity profiles. Research indicates that under aerobic conditions, this compound undergoes moderate biodegradation; however, its persistence in aquatic environments remains a concern. Regulatory agencies have therefore recommended careful monitoring of its use and disposal to minimize ecological impacts.

In conclusion, 1,2-Benzisothiazol-3-amine, N,N-diethyl (CAS No. 22961-84-8) is a versatile compound with significant contributions to pharmaceuticals and agrochemicals. Its unique structural features and reactivity make it an invaluable building block for developing novel bioactive agents. As research continues to uncover new applications and improve synthesis methods for this compound, its role in advancing science and technology is expected to grow further.

Recommended suppliers
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk