Cas no 124511-96-2 (3-(Chloroacetyl)-1-tosylpyrrole)
3-(Chloroacetyl)-1-tosylpyrrole Chemical and Physical Properties
Names and Identifiers
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- Ethanone,2-chloro-1-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]-
- 2-chloro-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethanone
- 3-chloroacetyl-1-tosyl pyrrole
- 3-chloroacetyl-1-tosyl-1H-pyrrole
- 3-chloroacetyl-N-tosylpyrrole
- 3-(CHLOROACETYL)-1-TOSYLPYRROLE
- 2-chloro-1-(1-tosyl-1H-pyrrol-3-yl)ethanone
- AKOS015904407
- Ethanone, 2-chloro-1-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]-
- 3-Chloroacetyl-1Tosyl Pyrrole
- BS-19616
- DTXSID60569709
- B-N-PROPYLGLUTARICACID
- SB62404
- 2-chloro-1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]ethanone
- 2-Chloro-1-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-3-yl]ethan-1-one
- YOGUEUYPEHSNNN-UHFFFAOYSA-N
- MFCD07357279
- 2-chloro-1-[1-(p-tolylsulfonyl)pyrrol-3-yl]ethanone;2-Chloro-1-(1-tosyl-1H-pyrrol-3-yl)ethanone
- SCHEMBL9775280
- A805251
- AMY4700
- 124511-96-2
- 3-(Chloroacetyl)-1-tosylpyrrole
-
- MDL: MFCD07357279
- Inchi: 1S/C13H12ClNO3S/c1-10-2-4-12(5-3-10)19(17,18)15-7-6-11(9-15)13(16)8-14/h2-7,9H,8H2,1H3
- InChI Key: YOGUEUYPEHSNNN-UHFFFAOYSA-N
- SMILES: ClCC(C1C=CN(C=1)S(C1C=CC(C)=CC=1)(=O)=O)=O
Computed Properties
- Exact Mass: 297.02300
- Monoisotopic Mass: 297.0226421g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 424
- 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: 2.6
- Topological Polar Surface Area: 64.5?2
Experimental Properties
- PSA: 64.52000
- LogP: 3.53580
3-(Chloroacetyl)-1-tosylpyrrole Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-(Chloroacetyl)-1-tosylpyrrole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C382358-10mg |
3-(Chloroacetyl)-1-tosylpyrrole |
124511-96-2 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C382358-50mg |
3-(Chloroacetyl)-1-tosylpyrrole |
124511-96-2 | 50mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C382358-100mg |
3-(Chloroacetyl)-1-tosylpyrrole |
124511-96-2 | 100mg |
$ 80.00 | 2022-06-06 | ||
| eNovation Chemicals LLC | Y0978751-10g |
2-chloro-1-(1-tosyl-1H-pyrrol-3-yl)ethanone |
124511-96-2 | 95% | 10g |
$850 | 2024-08-02 | |
| abcr | AB313373-1 g |
3-(Chloroacetyl)-1-tosylpyrrole; 95% |
124511-96-2 | 1g |
€178.00 | 2023-05-19 | ||
| abcr | AB313373-5 g |
3-(Chloroacetyl)-1-tosylpyrrole; 95% |
124511-96-2 | 5g |
€450.00 | 2023-05-19 | ||
| Chemenu | CM490312-5g |
2-Chloro-1-(1-tosyl-1H-pyrrol-3-yl)ethanone |
124511-96-2 | 98% | 5g |
$*** | 2023-04-03 | |
| abcr | AB313373-1g |
3-(Chloroacetyl)-1-tosylpyrrole, 95%; . |
124511-96-2 | 95% | 1g |
€178.00 | 2025-02-21 | |
| abcr | AB313373-5g |
3-(Chloroacetyl)-1-tosylpyrrole, 95%; . |
124511-96-2 | 95% | 5g |
€450.00 | 2025-02-21 | |
| eNovation Chemicals LLC | Y0978751-10g |
2-chloro-1-(1-tosyl-1H-pyrrol-3-yl)ethanone |
124511-96-2 | 95% | 10g |
$850 | 2025-02-26 |
3-(Chloroacetyl)-1-tosylpyrrole Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
Additional information on 3-(Chloroacetyl)-1-tosylpyrrole
Recent Advances in the Study of 3-(Chloroacetyl)-1-tosylpyrrole (CAS: 124511-96-2) in Chemical Biology and Pharmaceutical Research
The compound 3-(Chloroacetyl)-1-tosylpyrrole (CAS: 124511-96-2) has recently emerged as a significant focus in chemical biology and pharmaceutical research due to its versatile reactivity and potential applications in drug discovery. This heterocyclic compound, featuring both chloroacetyl and tosyl functional groups, serves as a valuable building block for the synthesis of more complex molecules with potential biological activities. Recent studies have explored its utility in various synthetic pathways and its interactions with biological targets, highlighting its importance in medicinal chemistry.
In 2023, researchers at the University of Cambridge published a comprehensive study in the Journal of Medicinal Chemistry investigating the use of 3-(Chloroacetyl)-1-tosylpyrrole as a precursor for the development of novel kinase inhibitors. The study demonstrated that this compound could be efficiently modified to create a series of pyrrole derivatives with selective inhibitory activity against specific cancer-related kinases. The researchers employed a combination of computational modeling and experimental validation to optimize the compound's structure-activity relationship, achieving promising results in in vitro assays against several cancer cell lines.
A recent patent application (WO2023051234) filed by a major pharmaceutical company has revealed innovative methods for utilizing 3-(Chloroacetyl)-1-tosylpyrrole in the synthesis of potential anti-inflammatory agents. The patent describes novel synthetic routes that significantly improve the yield and purity of target compounds while reducing production costs. This development is particularly noteworthy as it addresses previous challenges in the large-scale production of related pyrrole derivatives, potentially paving the way for more efficient drug development processes.
Structural studies published in ACS Chemical Biology (2024) have provided new insights into the molecular interactions of 3-(Chloroacetyl)-1-tosylpyrrole with various biological targets. Through X-ray crystallography and NMR spectroscopy, researchers have elucidated how the compound's unique electronic properties and three-dimensional structure contribute to its binding affinity with specific protein targets. These findings are expected to guide the rational design of new therapeutic agents based on this chemical scaffold.
Recent toxicological evaluations of 3-(Chloroacetyl)-1-tosylpyrrole and its derivatives have shown promising safety profiles in preclinical studies. A 2024 report in Toxicology and Applied Pharmacology presented data indicating that properly modified derivatives exhibit minimal off-target effects while maintaining potent biological activity. This research suggests that the compound's core structure may serve as a privileged scaffold for developing safer pharmaceutical candidates with reduced side effects.
Emerging applications in chemical biology have expanded the utility of 3-(Chloroacetyl)-1-tosylpyrrole beyond traditional drug discovery. A study published in Nature Chemical Biology (2023) demonstrated its effectiveness as a chemical probe for studying protein-protein interactions in cellular pathways. The compound's ability to selectively modify specific amino acid residues has made it a valuable tool for investigating biological processes at the molecular level.
Future research directions for 3-(Chloroacetyl)-1-tosylpyrrole appear promising, with several ongoing clinical trials investigating its derivatives as potential treatments for various diseases. The compound's versatility and the growing body of research supporting its applications suggest that it will continue to be an important focus in chemical biology and pharmaceutical research in the coming years.
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