Cas no 887354-80-5 (2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid)
2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanoic acid,4-mercapto-a,a-dimethyl-
- 2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid
- 2,2-dimethyl-3-(4-sulfanylphenyl)propanoic acid
- 4-Mercapto-a,a-dimethyl-benzenepropanoic Acid
- 4-Mercapto-A'A
- AfA,a-dimethyl-benzenepropanoic Acid
- Benzenepropanoic acid,4-mercapto-a,a-dimethyl
- 4-Mercapto-α,a-dimethyl-benzenepropanoic Acid
- 4-Mercapto-α,α-diMethyl-
- Benzenepropanoic acid, 4-mercapto-α,α-dimethyl-
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- Inchi： 1S/C11H14O2S/c1-11(2,10(12)13)7-8-3-5-9(14)6-4-8/h3-6,14H,7H2,1-2H3,(H,12,13)
- InChI Key： XXDIJXPNRJHFRH-UHFFFAOYSA-N
- SMILES： C1(CC(C)(C)C(O)=O)=CC=C(S)C=C1
Computed Properties
- Exact Mass: 210.07100
- Monoisotopic Mass: 210.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 205
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2.8
- Topological Polar Surface Area: 38.3A^2
Experimental Properties
- Density: 1.174
- Melting Point: 81-84°C
- Boiling Point: 352.8°C at 760 mmHg
- Flash Point: 167.2°C
- Refractive Index: 1.577
- Solubility: 可溶于氯仿、乙醇、甲醇
- PSA: 76.10000
- LogP: 2.62860
- pka: 4.70±0.13(Predicted)
2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid Security Information
- Storage Condition：Hygroscopic, -20°C Freezer, Under Inert Atmosphere
2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D474770-100mg |
2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid |
887354-80-5 | 100mg |
$ 127.00 | 2023-09-07 | ||
| TRC | D474770-250mg |
2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid |
887354-80-5 | 250mg |
$ 173.00 | 2023-09-07 | ||
| TRC | D474770-500mg |
2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid |
887354-80-5 | 500mg |
$ 339.00 | 2023-09-07 | ||
| TRC | D474770-1g |
2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid |
887354-80-5 | 1g |
$661.00 | 2023-05-18 | ||
| TRC | D474770-2g |
2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid |
887354-80-5 | 2g |
$1332.00 | 2023-05-18 |
2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
Additional information on 2,2-Dimethyl-3-(4-mercaptophenyl)propionic Acid
2,2-Dimethyl-3-(4-Mercaptophenyl)Propionic Acid: A Comprehensive Overview
The compound with CAS No 887354-80-5, known as 2,2-Dimethyl-3-(4-Mercaptophenyl)Propionic Acid, is a fascinating molecule that has garnered significant attention in various scientific domains. This compound is characterized by its unique structure, which combines a propionic acid backbone with a dimethyl group and a 4-mercaptophenyl substituent. The presence of the mercapto group (-SH) in the aromatic ring introduces interesting chemical properties, making it a valuable compound in both academic research and industrial applications.
Recent studies have highlighted the potential of 2,2-Dimethyl-3-(4-Mercaptophenyl)Propionic Acid in the field of materials science. Researchers have explored its ability to form self-assembled monolayers (SAMs) on various surfaces, which is a critical property for applications in nanotechnology and surface engineering. The mercapto group plays a pivotal role in these applications, as it facilitates strong interactions with metal surfaces, such as gold and silver. This property has led to its use in the development of sensors and electronic devices where surface functionality is paramount.
In the pharmaceutical industry, 2,2-Dimethyl-3-(4-Mercaptophenyl)Propionic Acid has shown promise as a precursor for drug delivery systems. Its structure allows for the incorporation of functional groups that can target specific receptors or cells, enhancing the efficacy of therapeutic agents. Moreover, the compound's ability to form stable complexes with metal ions has been leveraged in the creation of metallo-drugs, which are designed to combat diseases such as cancer and bacterial infections.
The synthesis of 2,2-Dimethyl-3-(4-Mercaptophenyl)Propionic Acid involves a multi-step process that typically begins with the preparation of the 4-mercaptophenyl group. This is followed by coupling reactions to introduce the propionic acid backbone and subsequent modifications to achieve the desired stereochemistry and functionality. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, making large-scale production more feasible.
From an environmental perspective, there is growing interest in understanding the biodegradation pathways of 2,2-Dimethyl-3-(4-Mercaptophenyl)Propionic Acid. Studies have shown that under aerobic conditions, the compound can be metabolized by microorganisms, reducing its persistence in natural ecosystems. This information is crucial for assessing its environmental impact and ensuring sustainable practices in its production and use.
In conclusion, 2,2-Dimethyl-3-(4-Mercaptophenyl)Propionic Acid (CAS No 887354-80-5) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties and functional groups make it an invaluable tool in research and industry alike. As scientific understanding continues to evolve, this compound is likely to find even more innovative uses that benefit society while maintaining environmental integrity.
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