Cas no 42861-71-2 (Acetic Acid 3-Iodo-phenyl Ester)
Acetic Acid 3-Iodo-phenyl Ester Chemical and Physical Properties
Names and Identifiers
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- 3-Iodophenyl acetate
- (3-iodophenyl) acetate
- Phenol, 3-iodo-,1-acetate
- acetic acid 3-iodo-phenyl ester
- 3-Acetoxyiodobenzene
- 1-acetyloxy-3-iodo-benzene
- Acetic acid 3-iodophenyl ester
- LWGMUQGQHHKINA-UHFFFAOYSA-N
- AK137755
- AB0097353
- AM20040847
- SCHEMBL1513774
- DTXSID10518207
- DS-5890
- 42861-71-2
- AC-17671
- C75148
- MFCD09029734
- CHEMBL458118
- AKOS015962640
- SY318984
- CS-0155012
- 3-IODOPHENYLACETATE
- Acetic Acid 3-Iodo-phenyl Ester
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- MDL: MFCD09029734
- Inchi: 1S/C8H7IO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3
- InChI Key: LWGMUQGQHHKINA-UHFFFAOYSA-N
- SMILES: IC1=CC=CC(=C1)OC(C)=O
Computed Properties
- Exact Mass: 261.94908g/mol
- Monoisotopic Mass: 261.94908g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 147
- 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: 2.4
- Topological Polar Surface Area: 26.3
Acetic Acid 3-Iodo-phenyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-UX887-1g |
Acetic Acid 3-Iodo-phenyl Ester |
42861-71-2 | 95+% | 1g |
382.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-UX887-50mg |
Acetic Acid 3-Iodo-phenyl Ester |
42861-71-2 | 95+% | 50mg |
55.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-UX887-250mg |
Acetic Acid 3-Iodo-phenyl Ester |
42861-71-2 | 95+% | 250mg |
248CNY | 2021-05-07 | |
| TRC | A145040-50mg |
Acetic Acid 3-Iodo-phenyl Ester |
42861-71-2 | 50mg |
$ 50.00 | 2022-05-31 | ||
| TRC | A145040-100mg |
Acetic Acid 3-Iodo-phenyl Ester |
42861-71-2 | 100mg |
$ 65.00 | 2022-05-31 | ||
| TRC | A145040-500mg |
Acetic Acid 3-Iodo-phenyl Ester |
42861-71-2 | 500mg |
$ 80.00 | 2022-05-31 | ||
| Alichem | A019116922-5g |
3-Iodophenyl acetate |
42861-71-2 | 95% | 5g |
$280.78 | 2023-09-01 | |
| Alichem | A019116922-10g |
3-Iodophenyl acetate |
42861-71-2 | 95% | 10g |
$435.12 | 2023-09-01 | |
| Alichem | A019116922-25g |
3-Iodophenyl acetate |
42861-71-2 | 95% | 25g |
$816.34 | 2023-09-01 | |
| abcr | AB514721-250 mg |
3-Iodophenyl acetate; . |
42861-71-2 | 250MG |
€81.90 | 2023-04-18 |
Acetic Acid 3-Iodo-phenyl Ester Related Literature
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1. Formula index
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Ze-lin Li,Kang-kang Sun,Chun Cai Org. Biomol. Chem. 2018 16 5433
Additional information on Acetic Acid 3-Iodo-phenyl Ester
Acetic Acid 3-Iodo-phenyl Ester (CAS No. 42861-71-2): A Key Intermediate in Modern Chemical Synthesis and Pharmaceutical Research
Acetic Acid 3-Iodo-phenyl Ester, with the chemical formula C?H?IO? and CAS number 42861-71-2, is a significant compound in the realm of organic synthesis and pharmaceutical development. This compound, characterized by its iodo-substituted phenyl ester moiety, has garnered considerable attention due to its versatile applications in constructing complex molecular architectures. The presence of both an ester group and an iodine atom makes it a valuable intermediate for various synthetic transformations, particularly in the context of cross-coupling reactions and medicinal chemistry.
The synthesis of Acetic Acid 3-Iodo-phenyl Ester typically involves the reaction of 3-iodophenol with acetic anhydride or acetyl chloride under controlled conditions. This process highlights the compound's role as a building block in the preparation of more intricate molecules. The ester functionality not only provides a site for further derivatization but also influences the overall reactivity and solubility of the compound, making it adaptable for different chemical environments.
In recent years, the demand for specialized intermediates like Acetic Acid 3-Iodo-phenyl Ester has surged, driven by advancements in pharmaceutical research. One of the most compelling applications of this compound is in the development of novel therapeutic agents. The iodo-substituted phenyl ester core is particularly useful in constructing biaryl structures, which are prevalent in many biologically active molecules. For instance, studies have demonstrated its utility in synthesizing kinase inhibitors and other small-molecule drugs that target specific disease pathways.
The compound's reactivity also makes it a valuable tool in synthetic organic chemistry. Transition-metal-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, have been extensively employed to introduce various functional groups onto the aromatic ring. These transformations have enabled the creation of a wide array of derivatives with tailored properties, further expanding the compound's utility in drug discovery and material science.
Recent research has also explored the use of Acetic Acid 3-Iodo-phenyl Ester in polymer chemistry. The incorporation of this moiety into polymer backbones can impart unique properties such as enhanced thermal stability or biodegradability. Such modifications are particularly relevant in developing sustainable materials for medical implants and drug delivery systems. The ability to fine-tune polymer properties through strategic functionalization underscores the importance of intermediates like Acetic Acid 3-Iodo-phenyl Ester.
The pharmaceutical industry has also leveraged this compound in designing probes for biochemical assays. The strong electron-withdrawing nature of the ester group facilitates interactions with biological targets, making it an effective tool for studying enzyme mechanisms and ligand-receptor binding. Moreover, the presence of an iodine atom allows for further labeling with radioactive or fluorescent tags, enhancing the sensitivity and specificity of these assays.
In conclusion, Acetic Acid 3-Iodo-phenyl Ester (CAS No. 42861-71-2) stands as a cornerstone in modern chemical synthesis and pharmaceutical research. Its unique structural features enable a broad spectrum of applications, from drug development to advanced materials engineering. As scientific understanding continues to evolve, the utility of this intermediate is expected to grow even further, driving innovation across multiple disciplines.
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