Cas no 1155084-48-2 (Ethyl 3-chloro-5-(chlorosulfonyl)benzoate)
Ethyl 3-chloro-5-(chlorosulfonyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-5-(chlorosulfonyl)Benzoic acid ethyl ester
- ethyl 3-chloro-5-(chlorosulfonyl)benzoate
- GS3042
- Ethyl 3-chloro-5-(chlorosulfonyl)benzoate
-
- MDL: MFCD12169517
- Inchi: 1S/C9H8Cl2O4S/c1-2-15-9(12)6-3-7(10)5-8(4-6)16(11,13)14/h3-5H,2H2,1H3
- InChI Key: SUEZEBLIQMOCLB-UHFFFAOYSA-N
- SMILES: ClC1C=C(C(=O)OCC)C=C(C=1)S(=O)(=O)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 349
- Topological Polar Surface Area: 68.8
Ethyl 3-chloro-5-(chlorosulfonyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B125375-10mg |
Ethyl 3-Chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 10mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B125375-50mg |
Ethyl 3-Chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 50mg |
$ 230.00 | 2022-06-07 | ||
| TRC | B125375-100mg |
Ethyl 3-Chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 100mg |
$ 340.00 | 2022-06-07 | ||
| Enamine | EN300-220192-1g |
ethyl 3-chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 95% | 1g |
$914.0 | 2023-09-16 | |
| Enamine | EN300-220192-5g |
ethyl 3-chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 95% | 5g |
$2650.0 | 2023-09-16 | |
| Enamine | EN300-220192-10g |
ethyl 3-chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 95% | 10g |
$3929.0 | 2023-09-16 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1310534-50mg |
Ethyl 3-chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 95% | 50mg |
¥5342.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1310534-100mg |
Ethyl 3-chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 95% | 100mg |
¥7982.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1310534-250mg |
Ethyl 3-chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 95% | 250mg |
¥11390.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1310534-500mg |
Ethyl 3-chloro-5-(chlorosulfonyl)benzoate |
1155084-48-2 | 95% | 500mg |
¥19245.00 | 2024-08-09 |
Ethyl 3-chloro-5-(chlorosulfonyl)benzoate Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
Additional information on Ethyl 3-chloro-5-(chlorosulfonyl)benzoate
Comprehensive Overview of Ethyl 3-chloro-5-(chlorosulfonyl)benzoate (CAS No. 1155084-48-2)
Ethyl 3-chloro-5-(chlorosulfonyl)benzoate (CAS No. 1155084-48-2) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. Its unique molecular structure, featuring both chlorosulfonyl and ester functional groups, makes it a versatile intermediate for synthesizing bioactive molecules. Researchers and manufacturers value this compound for its role in developing novel small-molecule inhibitors and crop protection agents, aligning with current trends in precision medicine and sustainable agriculture.
The growing demand for high-purity intermediates like Ethyl 3-chloro-5-(chlorosulfonyl)benzoate reflects industry shifts toward greener synthesis methods. Recent studies highlight its potential in catalyzed cross-coupling reactions, a hot topic in organic chemistry forums and patent applications. Its CAS No. 1155084-48-2 frequently appears in databases such as Reaxys and SciFinder, underscoring its relevance in drug discovery pipelines.
Analytical characterization of this compound involves advanced techniques like HPLC-MS and NMR spectroscopy, addressing common queries about quality control standards for synthetic intermediates. The chlorosulfonyl moiety enables selective derivatization, a feature explored in recent medicinal chemistry publications targeting kinase modulation. Such applications resonate with trending searches on "structure-activity relationships" and "fragment-based drug design."
From an industrial perspective, Ethyl 3-chloro-5-(chlorosulfonyl)benzoate exemplifies the shift toward scalable synthetic routes, a key concern in process chemistry discussions. Its stability under ambient storage conditions (a frequently searched topic) makes it practical for high-throughput screening workflows. Regulatory-compliant documentation for this compound often includes detailed spectral data and impurity profiles, meeting ICH Q3A guidelines.
Emerging applications in material science further expand its utility, particularly in designing functionalized polymers for optoelectronic devices. This interdisciplinary potential correlates with rising Google Scholar queries about "multifunctional aromatic building blocks." The compound's benzoate ester group also enables controlled release mechanisms, a concept gaining traction in formulation technology circles.
For synthetic chemists, CAS 1155084-48-2 represents a strategic starting material for constructing heterocyclic scaffolds, addressing persistent challenges in lead optimization. Its appearance in recent preclinical studies underscores its role in addressing undruggable targets – a trending focus area in oncology research. The compound's logP value and hydrogen bond acceptor count (frequently requested parameters) make it particularly valuable for blood-brain barrier penetration studies.
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