Cas no 86319-88-2 (1-(1,3-Benzothiazol-2-yl)butane-1,3-dione)
1-(1,3-Benzothiazol-2-yl)butane-1,3-dione is a heterocyclic organic compound featuring a benzothiazole core linked to a butane-1,3-dione moiety. This structure imparts unique reactivity, making it valuable as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and functional materials. The benzothiazole group enhances electron-withdrawing properties, while the diketone functionality offers versatile coordination and chelation potential. Its stability under various conditions and compatibility with multiple reaction pathways make it suitable for complex organic transformations. Researchers leverage this compound for its ability to form heterocyclic derivatives with potential biological activity. Its well-defined structure ensures reproducibility in synthetic applications, supporting its use in method development and industrial-scale processes.
86319-88-2 structure
Product Name:1-(1,3-Benzothiazol-2-yl)butane-1,3-dione
CAS No:86319-88-2
MF:C11H9NO2S
MW:219.259661436081
CID:708412
PubChem ID:13133655
Update Time:2025-05-28
1-(1,3-Benzothiazol-2-yl)butane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione,1-(2-benzothiazolyl)-
- 1,3-Butanedione,1-(2-benzothiazolyl)-(9CI)
- 1,3-BUTANEDIONE, 1-(2-BENZOTHIAZOLYL)-
- 2-acetoacetylbenzothiazole
- 1-(1,3-Benzothiazol-2-yl)butane-1,3-dione
-
- Inchi： 1S/C11H9NO2S/c1-7(13)6-9(14)11-12-8-4-2-3-5-10(8)15-11/h2-5H,6H2,1H3
- InChI Key： GLBHDSPTUZOETI-UHFFFAOYSA-N
- SMILES： S1C(C(CC(C)=O)=O)=NC2C=CC=CC1=2
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 280
- XLogP3: 2.1
- Topological Polar Surface Area: 75.3
1-(1,3-Benzothiazol-2-yl)butane-1,3-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1126241-0.05g |
1-(1,3-benzothiazol-2-yl)butane-1,3-dione |
86319-88-2 | 95% | 0.05g |
$587.0 | 2023-10-26 | |
| Enamine | EN300-1126241-0.1g |
1-(1,3-benzothiazol-2-yl)butane-1,3-dione |
86319-88-2 | 95% | 0.1g |
$615.0 | 2023-10-26 | |
| Enamine | EN300-1126241-0.25g |
1-(1,3-benzothiazol-2-yl)butane-1,3-dione |
86319-88-2 | 95% | 0.25g |
$642.0 | 2023-10-26 | |
| Enamine | EN300-1126241-0.5g |
1-(1,3-benzothiazol-2-yl)butane-1,3-dione |
86319-88-2 | 95% | 0.5g |
$671.0 | 2023-10-26 | |
| Enamine | EN300-1126241-1.0g |
1-(1,3-benzothiazol-2-yl)butane-1,3-dione |
86319-88-2 | 1g |
$884.0 | 2023-06-09 | ||
| Enamine | EN300-1126241-2.5g |
1-(1,3-benzothiazol-2-yl)butane-1,3-dione |
86319-88-2 | 95% | 2.5g |
$1370.0 | 2023-10-26 | |
| Enamine | EN300-1126241-5.0g |
1-(1,3-benzothiazol-2-yl)butane-1,3-dione |
86319-88-2 | 5g |
$2566.0 | 2023-06-09 | ||
| Enamine | EN300-1126241-10.0g |
1-(1,3-benzothiazol-2-yl)butane-1,3-dione |
86319-88-2 | 10g |
$3807.0 | 2023-06-09 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1529896-50mg |
1-(Benzo[d]thiazol-2-yl)butane-1,3-dione |
86319-88-2 | 98% | 50mg |
￥16070.00 | 2024-04-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1529896-100mg |
1-(Benzo[d]thiazol-2-yl)butane-1,3-dione |
86319-88-2 | 98% | 100mg |
￥19625.00 | 2024-04-28 |
1-(1,3-Benzothiazol-2-yl)butane-1,3-dione Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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