Cas no 458-11-7 (3',4'-Difluoroacetanilide)
3',4'-Difluoroacetanilide Chemical and Physical Properties
Names and Identifiers
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- Acetamide,N-(3,4-difluorophenyl)-
- 3',4'-DIFLUOROACETANILIDE
- 3’,4’-DIFLUOROACETANILIDE
- N-(3,4-difluorophenyl)acetamide
- (3,4-difluorophenyl)acetanilide
- acet(3,4-difluoroanilide)
- acetic acid-(3,4-difluoro-anilide)
- Essigsaeure-(3,4-difluor-anilid)
- CS-0199429
- AKOS003867658
- NSC10347
- SCHEMBL863069
- 458-11-7
- PS-8689
- N-(3,4-Difluoro-phenyl)-acetamide
- FT-0614847
- MFCD00017903
- DTXSID30278856
- 3,4-difluoroacetanilide
- N-(3,4-difluoro-phenyl)acetamide
- NSC-10347
- NS00124498
- DB-051334
- DTXCID50230012
- 3',4'-Difluoroacetanilide
-
- MDL: MFCD00017903
- Inchi: 1S/C8H7F2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12)
- InChI Key: PSXXZHPJADTUNB-UHFFFAOYSA-N
- SMILES: FC1=C(C=CC(=C1)NC(C)=O)F
Computed Properties
- Exact Mass: 171.05000
- Monoisotopic Mass: 171.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- 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
- XLogP3: 1.5
- Topological Polar Surface Area: 29.1A^2
Experimental Properties
- Density: 1.307
- Boiling Point: 291.2 °C at 760 mmHg
- Flash Point: 129.9 °C
- Refractive Index: 1.531
- PSA: 29.10000
- LogP: 1.99620
3',4'-Difluoroacetanilide Customs Data
- HS CODE:2924299090
- Customs Data:
China Customs Code:
2924299090Overview:
2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3',4'-Difluoroacetanilide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 013299-1g |
3',4'-Difluoroacetanilide |
458-11-7 | 98% | 1g |
£11.00 | 2022-03-01 | |
| Fluorochem | 013299-10g |
3',4'-Difluoroacetanilide |
458-11-7 | 98% | 10g |
£76.00 | 2022-03-01 | |
| TRC | D445933-50mg |
3',4'-Difluoroacetanilide |
458-11-7 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D445933-100mg |
3',4'-Difluoroacetanilide |
458-11-7 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D445933-500mg |
3',4'-Difluoroacetanilide |
458-11-7 | 500mg |
$ 115.00 | 2022-06-05 | ||
| Apollo Scientific | PC9977-1g |
3',4'-Difluoroacetanilide |
458-11-7 | 1g |
£15.00 | 2025-02-22 | ||
| eNovation Chemicals LLC | Y1266246-1g |
N-(3,4-Difluorophenyl)acetamide |
458-11-7 | 97% | 1g |
$55 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1266246-5g |
N-(3,4-Difluorophenyl)acetamide |
458-11-7 | 97% | 5g |
$80 | 2024-06-07 | |
| 1PlusChem | 1P003ANU-250mg |
N-(3,4-Difluorophenyl)acetamide |
458-11-7 | 98% | 250mg |
$11.00 | 2025-02-19 | |
| A2B Chem LLC | AB52986-250mg |
3',4'-Difluoroacetanilide |
458-11-7 | 98% | 250mg |
$10.00 | 2024-04-20 |
3',4'-Difluoroacetanilide Suppliers
3',4'-Difluoroacetanilide Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
Additional information on 3',4'-Difluoroacetanilide
Recent Advances in the Study of 3',4'-Difluoroacetanilide (CAS: 458-11-7)
3',4'-Difluoroacetanilide (CAS: 458-11-7) is a fluorinated aromatic compound that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug development and synthesis. Recent studies have explored its role as a key intermediate in the synthesis of bioactive molecules, particularly those targeting enzyme inhibition and receptor modulation. This research brief aims to summarize the latest findings related to this compound, highlighting its chemical properties, synthetic utility, and biological relevance.
Recent literature has emphasized the importance of 3',4'-Difluoroacetanilide in the development of novel kinase inhibitors. A study published in the Journal of Medicinal Chemistry (2023) demonstrated its use as a precursor in the synthesis of selective EGFR (Epidermal Growth Factor Receptor) inhibitors, which are critical for targeting cancer cell proliferation. The fluorinated aromatic ring system of 3',4'-Difluoroacetanilide enhances the binding affinity of these inhibitors to the ATP-binding site of EGFR, thereby improving their therapeutic efficacy.
In addition to its role in kinase inhibition, 3',4'-Difluoroacetanilide has been investigated for its potential in antimicrobial applications. A 2022 study in Bioorganic & Medicinal Chemistry Letters reported its incorporation into novel sulfonamide derivatives, which exhibited potent activity against drug-resistant bacterial strains. The presence of fluorine atoms in the compound was found to enhance the metabolic stability and bioavailability of these derivatives, making them promising candidates for further preclinical evaluation.
From a synthetic chemistry perspective, recent advancements have focused on optimizing the production of 3',4'-Difluoroacetanilide to improve yield and purity. A 2023 paper in Organic Process Research & Development detailed a streamlined, cost-effective synthesis route using palladium-catalyzed cross-coupling reactions. This method not only reduces the environmental impact of the synthesis but also scales efficiently for industrial production, addressing one of the key challenges in the commercialization of fluorinated pharmaceuticals.
The pharmacological profile of 3',4'-Difluoroacetanilide has also been a subject of recent investigation. In vitro and in vivo studies have shown that the compound exhibits favorable pharmacokinetic properties, including moderate plasma protein binding and good tissue penetration. These characteristics, combined with its low toxicity profile, make it an attractive scaffold for further medicinal chemistry optimization. Researchers are currently exploring its potential in central nervous system (CNS) drug development, given its ability to cross the blood-brain barrier.
In conclusion, 3',4'-Difluoroacetanilide (CAS: 458-11-7) represents a versatile and valuable building block in modern pharmaceutical research. Its applications span from oncology to infectious diseases, and ongoing studies continue to uncover new therapeutic possibilities. The compound's unique chemical properties, coupled with recent synthetic and pharmacological advancements, position it as a key player in the development of next-generation therapeutics. Future research should focus on expanding its utility in targeted drug delivery systems and combination therapies to maximize its clinical potential.
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