Cas no 938-67-0 (1-(3-chloro-2-hydroxyphenyl)propan-1-one)
1-(3-chloro-2-hydroxyphenyl)propan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 1-(3-chloro-2-hydroxyphenyl)-
- 1-(3-chloro-2-hydroxyphenyl)propan-1-one
- GMFWHBJASTVOFN-UHFFFAOYSA-N
- 938-67-0
- SCHEMBL1262256
- DTXSID70516108
- Z1255452423
- 3'-Chloro-2'-hydroxypropiophenone
- EN300-213360
- P17540
- MFCD16302411
- AB90745
- CS-0052891
- AKOS022300908
- 1-(3-chloro-2-hydroxyphenyl)-1-propanone
-
- MDL: MFCD16302411
- Inchi: 1S/C9H9ClO2/c1-2-8(11)6-4-3-5-7(10)9(6)12/h3-5,12H,2H2,1H3
- InChI Key: GMFWHBJASTVOFN-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC(=C1O)C(CC)=O
Computed Properties
- Exact Mass: 184.0291072g/mol
- Monoisotopic Mass: 184.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 3.2
- Topological Polar Surface Area: 37.3?2
1-(3-chloro-2-hydroxyphenyl)propan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C611570-10mg |
1-(3-chloro-2-hydroxyphenyl)propan-1-one |
938-67-0 | 10mg |
$ 70.00 | 2022-06-06 | ||
| TRC | C611570-50mg |
1-(3-chloro-2-hydroxyphenyl)propan-1-one |
938-67-0 | 50mg |
$ 230.00 | 2022-06-06 | ||
| TRC | C611570-100mg |
1-(3-chloro-2-hydroxyphenyl)propan-1-one |
938-67-0 | 100mg |
$ 365.00 | 2022-06-06 | ||
| Alichem | A015031036-250mg |
3'-Chloro-2'-hydroxypropiophenone |
938-67-0 | 97% | 250mg |
$489.60 | 2023-08-31 | |
| Alichem | A015031036-500mg |
3'-Chloro-2'-hydroxypropiophenone |
938-67-0 | 97% | 500mg |
$798.70 | 2023-08-31 | |
| Alichem | A015031036-1g |
3'-Chloro-2'-hydroxypropiophenone |
938-67-0 | 97% | 1g |
$1549.60 | 2023-08-31 | |
| Chemenu | CM117421-1g |
1-(3-Chloro-2-hydroxyphenyl)-1-propanone |
938-67-0 | 95% | 1g |
$542 | 2024-07-19 | |
| Chemenu | CM117421-5g |
1-(3-Chloro-2-hydroxyphenyl)-1-propanone |
938-67-0 | 95% | 5g |
$1625 | 2024-07-19 | |
| Enamine | EN300-213360-0.05g |
1-(3-chloro-2-hydroxyphenyl)propan-1-one |
938-67-0 | 95.0% | 0.05g |
$75.0 | 2025-02-19 | |
| Enamine | EN300-213360-0.1g |
1-(3-chloro-2-hydroxyphenyl)propan-1-one |
938-67-0 | 95.0% | 0.1g |
$111.0 | 2025-02-19 |
1-(3-chloro-2-hydroxyphenyl)propan-1-one Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
Additional information on 1-(3-chloro-2-hydroxyphenyl)propan-1-one
Chemical Profile of 1-Propanone, 1-(3-chloro-2-hydroxyphenyl)- (CAS No. 938-67-0) and Its Emerging Applications in Modern Research
1-Propanone, 1-(3-chloro-2-hydroxyphenyl)-, identified by the Chemical Abstracts Service registry number 938-67-0, is a significant organic compound that has garnered attention in the field of pharmaceutical chemistry and chemical biology due to its versatile structural framework and functional properties. This compound, featuring a propanone backbone substituted with a 3-chloro-2-hydroxyphenyl group, exhibits unique reactivity that makes it a valuable intermediate in synthetic chemistry and a potential candidate for drug discovery initiatives.
The molecular structure of 1-Propanone, 1-(3-chloro-2-hydroxyphenyl)- (CAS No. 938-67-0) consists of an aliphatic ketone moiety linked to a phenolic ring bearing both chloro and hydroxyl substituents. This arrangement imparts distinct electronic and steric characteristics, enabling diverse chemical transformations and biological interactions. The presence of the chloro group enhances electrophilic aromatic substitution reactions, while the hydroxyl moiety facilitates nucleophilic additions and hydrogen bonding interactions, making this compound particularly interesting for medicinal chemists seeking novel scaffolds for therapeutic agents.
In recent years, advancements in computational chemistry and high-throughput screening have highlighted the potential of structurally complex molecules like 1-Propanone, 1-(3-chloro-2-hydroxyphenyl)- (CAS No. 938-67-0) as pharmacophores. Studies have demonstrated that derivatives of this compound exhibit promising biological activities, including anti-inflammatory, antioxidant, and antimicrobial properties. For instance, modifications to the phenolic ring have been shown to modulate enzyme inhibition profiles, which is a critical consideration in drug development pipelines.
The synthesis of 1-Propanone, 1-(3-chloro-2-hydroxyphenyl)- (CAS No. 938-67-0) typically involves multi-step organic reactions starting from readily available precursors such as acetone and chlorinated aromatic compounds. The chlorination and hydroxylation steps are often performed under controlled conditions to ensure high yield and purity. Recent innovations in catalytic methods have improved the efficiency of these transformations, reducing reliance on harsh reagents and minimizing waste generation—a key consideration in sustainable chemistry practices.
One of the most compelling aspects of 1-Propanone, 1-(3-chloro-2-hydroxyphenyl)- (CAS No. 938-67-0) is its utility as a building block for more complex molecules. Researchers have leveraged its reactivity to develop novel heterocyclic compounds that exhibit enhanced pharmacological properties. For example, coupling the ketone group with nitrogen-containing heterocycles has yielded derivatives with potent kinase inhibition activity, which is relevant in oncology research. Such structural diversification underscores the importance of this compound in medicinal chemistry libraries.
The role of computational modeling in optimizing derivatives of 1-Propanone, 1-(3-chloro-2-hydroxyphenyl)- (CAS No. 938-67-0) cannot be overstated. Molecular docking studies have identified key interactions between this compound's scaffold and biological targets, providing insights into its mechanism of action. These predictions guide experimental efforts by prioritizing analogs with higher predicted binding affinities. Furthermore, quantum mechanical calculations have been employed to understand electronic effects that influence reactivity, enabling rational design of next-generation compounds.
Industrial applications of 1-Propanone, 1-(3-chloro-2-hydroxyphenyl)- (CAS No. 938-67-0) extend beyond pharmaceuticals into agrochemicals and specialty chemicals. Its structural features make it a suitable precursor for synthesizing intermediates used in pesticide formulations and fine chemicals. The growing demand for environmentally friendly alternatives has spurred research into greener synthetic routes for this compound, emphasizing solvent-free reactions and biocatalytic processes.
Future directions in the study of 1-Propanone, 1-(3-chloro-2-hydroxyphenyl)- (CAS No. 938-67-0) include exploring its role in materials science applications. The compound's ability to form stable complexes with metal ions suggests potential uses in coordination chemistry and catalysis. Additionally, its photochemical properties have been investigated for applications in organic electronics and photodynamic therapy—a promising frontier in cancer treatment.
In conclusion,1-Propanone, 1-(3-chloro-2-hydroxyphenyl)- (CAS No. 938-67-0) represents a fascinating compound with broad utility across multiple scientific disciplines. Its unique structural features continue to inspire innovative research initiatives aimed at uncovering new therapeutic agents and sustainable chemical processes. As our understanding of molecular interactions deepens through interdisciplinary collaboration,this compound will undoubtedly remain at the forefront of chemical biology investigations.
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