Cas no 1027513-46-7 (Methyl 3-fluoro-4-iodobenzoate)
Methyl 3-fluoro-4-iodobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl3-fluoro-4-iodobenzoate
- Methyl 3-fluoro-4-iodobenzoate
- AK316217
- Methyl 3-fluoro-4-iodobenzoate, AldrichCPR
- Benzoic acid, 3-fluoro-4-iodo-, methyl ester
- DB-101301
- CL9424
- AKOS027323762
- CRB51346
- MFCD09800728
- 1027513-46-7
- CS-0131364
- DS-11370
- SCHEMBL17400893
-
- MDL: MFCD09800728
- Inchi: 1S/C8H6FIO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
- InChI Key: QLOABIRBPCIWKQ-UHFFFAOYSA-N
- SMILES: IC1C([H])=C([H])C(C(=O)OC([H])([H])[H])=C([H])C=1F
Computed Properties
- Exact Mass: 279.93966g/mol
- Monoisotopic Mass: 279.93966g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 174
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 2.5
Methyl 3-fluoro-4-iodobenzoate Security Information
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- Hazard Category Code: 36
- Safety Instruction: 26
-
Hazardous Material Identification:
- Storage Condition:Inert atmosphere,Room Temperature
Methyl 3-fluoro-4-iodobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTYC0634-1 G |
methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 95% | 1g |
¥ 376.00 | 2021-05-07 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M165526-100mg |
Methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 100mg |
¥111.00 | 2021-05-21 | ||
| Fluorochem | 034842-250mg |
Methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 95% | 250mg |
£23.00 | 2022-03-01 | |
| Fluorochem | 034842-1g |
Methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 95% | 1g |
£53.00 | 2022-03-01 | |
| Fluorochem | 034842-5g |
Methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 95% | 5g |
£122.00 | 2022-03-01 | |
| Fluorochem | 034842-10g |
Methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 95% | 10g |
£226.00 | 2022-03-01 | |
| Chemenu | CM247390-5g |
Methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 95% | 5g |
$153 | 2021-06-16 | |
| Chemenu | CM247390-10g |
Methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 95% | 10g |
$262 | 2021-06-16 | |
| Chemenu | CM247390-25g |
Methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 95% | 25g |
$528 | 2021-06-16 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | PS944-1g |
Methyl 3-fluoro-4-iodobenzoate |
1027513-46-7 | 95+% | 1g |
589CNY | 2021-05-08 |
Methyl 3-fluoro-4-iodobenzoate Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
Additional information on Methyl 3-fluoro-4-iodobenzoate
Methyl 3-Fluoro-4-Iodobenzoate: A Versatile Intermediate in Pharmaceutical Synthesis
Methyl 3-fluoro-4-iodobenzoate (CAS No. 1027513-46-7) is a valuable intermediate in the field of pharmaceutical synthesis and chemical research. This compound, characterized by its unique fluorine and iodine substituents, has gained significant attention due to its potential applications in the development of novel drugs and materials. The combination of these functional groups provides a versatile platform for further chemical modifications, making it an essential building block in various synthetic pathways.
The chemical structure of methyl 3-fluoro-4-iodobenzoate consists of a benzene ring with a methyl ester group at the ortho position, a fluorine atom at the meta position, and an iodine atom at the para position. This arrangement imparts distinct physical and chemical properties to the compound, such as enhanced solubility, reactivity, and stability. These properties are crucial for its use in complex organic reactions and as a precursor for more advanced molecules.
Recent advancements in synthetic chemistry have highlighted the importance of methyl 3-fluoro-4-iodobenzoate in the development of new therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that this compound can be effectively utilized as a starting material for the synthesis of potent anti-cancer drugs. The iodine substituent facilitates cross-coupling reactions, such as Suzuki-Miyaura coupling, which are essential for constructing complex molecular architectures with high efficiency and selectivity.
In addition to its role in drug discovery, methyl 3-fluoro-4-iodobenzoate has also found applications in materials science. Researchers at the University of California, Berkeley, have explored its use in the synthesis of fluorinated polymers with improved thermal stability and mechanical strength. These polymers have potential applications in various industries, including electronics, aerospace, and biomedical devices.
The synthesis of methyl 3-fluoro-4-iodobenzoate can be achieved through several routes, depending on the desired purity and scale. One common method involves the iodination of 3-fluorobenzoic acid followed by esterification with methanol. This process is well-documented in the literature and can be optimized for large-scale production using modern synthetic techniques. The choice of catalysts and reaction conditions plays a crucial role in achieving high yields and minimizing side reactions.
The safety and handling of methyl 3-fluoro-4-iodobenzoate are important considerations for researchers and industrial chemists. While this compound is not classified as a hazardous material under standard regulations, it is recommended to handle it with appropriate personal protective equipment (PPE) to avoid skin contact or inhalation. Storage conditions should be controlled to prevent degradation or contamination.
In conclusion, methyl 3-fluoro-4-iodobenzoate (CAS No. 1027513-46-7) is a highly versatile intermediate with significant potential in pharmaceutical synthesis and materials science. Its unique chemical structure and properties make it an invaluable tool for researchers aiming to develop novel compounds with therapeutic or industrial applications. As ongoing research continues to uncover new uses for this compound, its importance in the scientific community is likely to grow even further.
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