Cas no 651734-62-2 (3-Ethoxy-2,6-difluorobenzoic Acid)
3-Ethoxy-2,6-difluorobenzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-ethoxy-2,6-difluoro-
- 3-Ethoxy-2,6-difluorobenzoic acid
- AS-35533
- CS-0190905
- 3-ETHOXY-2,6-DIFLUOROBENZOICACID
- Z1269157393
- MFCD11519368
- SCHEMBL4398112
- EN300-120240
- AKOS015956832
- 651734-62-2
- DTXSID90593835
- DB-285641
- 3-ethoxy-2,6-difluoro-benzoic acid
- Benzoic acid, 3-ethoxy-2,6-difluoro- (9CI)
- 3-Ethoxy-2,6-difluorobenzoic Acid
-
- MDL: MFCD11519368
- Inchi: 1S/C9H8F2O3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4H,2H2,1H3,(H,12,13)
- InChI Key: JOQRIDVHSRHQMD-UHFFFAOYSA-N
- SMILES: FC1C(C(=O)O)=C(C=CC=1OCC)F
Computed Properties
- Exact Mass: 202.04414
- Monoisotopic Mass: 202.04415044g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 210
- 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
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
3-Ethoxy-2,6-difluorobenzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019101707-5g |
3-Ethoxy-2,6-difluorobenzoic acid |
651734-62-2 | 95% | 5g |
$523.32 | 2023-09-01 | |
| Alichem | A019101707-10g |
3-Ethoxy-2,6-difluorobenzoic acid |
651734-62-2 | 95% | 10g |
$841.05 | 2023-09-01 | |
| Matrix Scientific | 117470-5g |
3-Ethoxy-2,6-difluorobenzoic acid |
651734-62-2 | 5g |
$147.00 | 2023-09-10 | ||
| Matrix Scientific | 117470-25g |
3-Ethoxy-2,6-difluorobenzoic acid |
651734-62-2 | 25g |
$588.00 | 2023-09-10 | ||
| TRC | E893070-50mg |
3-Ethoxy-2,6-difluorobenzoic Acid |
651734-62-2 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E893070-100mg |
3-Ethoxy-2,6-difluorobenzoic Acid |
651734-62-2 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | E893070-500mg |
3-Ethoxy-2,6-difluorobenzoic Acid |
651734-62-2 | 500mg |
$ 160.00 | 2022-06-05 | ||
| Apollo Scientific | PC302296-1g |
3-Ethoxy-2,6-difluorobenzoic acid |
651734-62-2 | 97% | 1g |
£23.00 | 2023-09-01 | |
| Apollo Scientific | PC302296-5g |
3-Ethoxy-2,6-difluorobenzoic acid |
651734-62-2 | 97% | 5g |
£64.00 | 2023-09-01 | |
| Apollo Scientific | PC302296-10g |
3-Ethoxy-2,6-difluorobenzoic acid |
651734-62-2 | 97% | 10g |
£101.00 | 2023-09-01 |
3-Ethoxy-2,6-difluorobenzoic Acid Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
Additional information on 3-Ethoxy-2,6-difluorobenzoic Acid
Recent Advances in the Application of 3-Ethoxy-2,6-difluorobenzoic Acid (CAS: 651734-62-2) in Chemical Biology and Pharmaceutical Research
3-Ethoxy-2,6-difluorobenzoic Acid (CAS: 651734-62-2) is a fluorinated benzoic acid derivative that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, particularly in the development of novel therapeutics targeting inflammatory diseases, cancer, and infectious diseases. The unique electronic properties imparted by the fluorine atoms and the ethoxy substituent make this compound a valuable building block for drug discovery and medicinal chemistry.
Recent studies have highlighted the role of 3-Ethoxy-2,6-difluorobenzoic Acid in the synthesis of small-molecule inhibitors targeting protein kinases and other enzymes involved in disease pathways. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in the development of potent inhibitors of the JAK-STAT signaling pathway, which is implicated in autoimmune disorders. The compound's ability to modulate electronic and steric properties of the resulting inhibitors was found to enhance their binding affinity and selectivity.
In addition to its applications in drug discovery, 3-Ethoxy-2,6-difluorobenzoic Acid has been employed in the design of fluorescent probes for biological imaging. A recent publication in ACS Chemical Biology (2024) described its incorporation into a fluorogenic probe for detecting reactive oxygen species (ROS) in live cells. The probe exhibited high sensitivity and specificity, enabling real-time monitoring of oxidative stress in disease models. This advancement underscores the compound's potential in chemical biology tools development.
The synthetic accessibility of 3-Ethoxy-2,6-difluorobenzoic Acid has also been a focus of recent research. A 2024 study in Organic Process Research & Development reported an optimized, scalable synthesis route with improved yield and purity, addressing previous challenges in large-scale production. This development is particularly significant for pharmaceutical applications where consistent quality and availability of the intermediate are crucial.
Looking forward, researchers are exploring the potential of 3-Ethoxy-2,6-difluorobenzoic Acid in emerging areas such as targeted protein degradation and covalent inhibitor design. Preliminary results from ongoing studies suggest that derivatives of this compound may serve as effective warheads for PROTACs (Proteolysis Targeting Chimeras), opening new avenues for drug discovery. The compound's unique structural features continue to make it a valuable asset in the medicinal chemist's toolbox.
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