Cas no 26832-96-2 (Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester)
Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester
- (4-FLUOROPHENYLAMINO)METHYLENEMALONIC ACID DIETHYL ESTER
- diethyl 2-(((4-fluorophenyl)amino)methylene)malonate
- diethyl 2-[(4-fluoroanilino)methylidene]propanedioate
- 2-[(4-fluorophenylamino)methylene]malonic acid diethyl ester
- 2-[(4-fluoro-phenylamino)-methylene]-malonic acid diethyl ester
- AC1LC7NU
- CCG-46339
- CTK4F8587
- diethyl [(4-fluoroanilino)methylidene]malonate
- diethyl 2-((4-fluorophenylamino)methylene)malonate
- Diethyl 2-[(4-fluoroanilino)methylene]malonate
- diethyl 2-[(4-fluorophenylamino)methylene]malonate
- STK063523
- SureCN846104
- 5J-027
- SCHEMBL846104
- 1,3-diethyl 2-{[(4-fluorophenyl)amino]methylidene}propanedioate
- NS00096709
- 4-Fluoroanilinomethylenemalonic acid, diethyl ester
- MFCD00111036
- 26832-96-2
- Diethyl 2-[(4-fluoroanilino)methylene]malonate #
- diethyl {[(4-fluorophenyl)amino]methylene}malonate
- BP-20312
- SR-01000636042-1
- AKOS000669674
- diethyl (4-fluoroanilino)methylenemalonate
- diethyl 2-[(4-fluorophenylamino)methylidene]malonate
- J-650040
- Diethyl2-(((4-fluorophenyl)amino)methylene)malonate
- DTXSID00344299
- FT-0604772
- DA-34904
- diethyl {[(4-fluorophenyl)amino]methylidene}propanedioate
-
- MDL: MFCD00111036
- Inchi: 1S/C14H16FNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-10(15)6-8-11/h5-9,16H,3-4H2,1-2H3
- InChI Key: UKOQPGUZNBTTLG-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1)N/C=C(\C(=O)OCC)/C(=O)OCC
Computed Properties
- Exact Mass: 281.10600
- Monoisotopic Mass: 281.10633615g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 342
- 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: 3.3
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- PSA: 64.63000
- LogP: 2.32070
Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester Customs Data
- HS CODE:2922499990
- Customs Data:
China Customs Code:
2922499990Overview:
2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
P.Imported animals and plants\Quarantine of animal and plant products
Q.Outbound animals and plants\Quarantine of animal and plant products
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | PC430555-1g |
Diethyl 2-((4-fluorophenylamino)methylene)malonate |
26832-96-2 | 1g |
£317.00 | 2024-05-23 | ||
| Crysdot LLC | CD12089846-5g |
Diethyl 2-(((4-fluorophenyl)amino)methylene)malonate |
26832-96-2 | 97% | 5g |
$874 | 2024-07-24 | |
| Cooke Chemical | LN7797757-1g |
26832-96-2 | Diethyl2-(((4-fluorophenyl)amino)methylene)malonate | 1g |
RMB 2934.40 | 2025-02-21 | ||
| A2B Chem LLC | AD55685-1mg |
Diethyl 2-[(4-fluoroanilino)methylene]malonate |
26832-96-2 | >95% | 1mg |
$201.00 | 2024-04-20 | |
| A2B Chem LLC | AD55685-5mg |
Diethyl 2-[(4-fluoroanilino)methylene]malonate |
26832-96-2 | >95% | 5mg |
$214.00 | 2024-04-20 | |
| A2B Chem LLC | AD55685-10mg |
Diethyl 2-[(4-fluoroanilino)methylene]malonate |
26832-96-2 | >95% | 10mg |
$240.00 | 2024-04-20 | |
| A2B Chem LLC | AD55685-500mg |
Diethyl 2-[(4-fluoroanilino)methylene]malonate |
26832-96-2 | >95% | 500mg |
$631.00 | 2024-04-20 | |
| A2B Chem LLC | AD55685-1g |
Diethyl 2-[(4-fluoroanilino)methylene]malonate |
26832-96-2 | >95% | 1g |
$1116.00 | 2024-04-20 | |
| A2B Chem LLC | AD55685-5g |
Diethyl 2-[(4-fluoroanilino)methylene]malonate |
26832-96-2 | >95% | 5g |
$4027.00 | 2024-04-20 |
Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
Additional information on Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester
Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester (CAS No. 26832-96-2): A Comprehensive Overview
Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester (CAS No. 26832-96-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This ester derivative of propanedioic acid features a unique 4-fluorophenylamino substitution, which contributes to its distinct chemical properties and potential applications. As researchers increasingly explore fluorinated compounds for their enhanced stability and bioavailability, this particular molecule stands out for its molecular architecture and reactivity.
The compound's structure combines a diethyl propanedioate core with a fluorinated aromatic moiety, creating interesting possibilities for drug development and material science. Recent studies in medicinal chemistry have highlighted the importance of such fluorine-containing building blocks, particularly in the design of novel therapeutic agents. The presence of both ester groups and an aromatic fluorine atom makes this compound valuable for structure-activity relationship studies and molecular optimization processes.
From a synthetic chemistry perspective, Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester serves as an important intermediate in organic synthesis. Its reactive methylene group allows for various condensation reactions, while the fluorophenyl component provides electronic effects that can influence reaction pathways. This dual functionality makes it particularly useful in the development of heterocyclic compounds, which are fundamental to many pharmaceutical applications.
The growing interest in fluorine chemistry has positioned this compound as a subject of numerous research initiatives. With approximately 20-30% of modern pharmaceuticals containing fluorine atoms, compounds like 26832-96-2 are becoming increasingly valuable. The 4-fluorophenyl group in particular is known to enhance metabolic stability and membrane permeability, making derivatives of this compound potentially useful in drug discovery programs targeting various diseases.
In material science applications, the diethyl ester functionality of this compound offers opportunities for polymer modification and specialty chemical synthesis. Researchers are exploring its use in creating advanced materials with specific optical or electronic properties. The compound's ability to participate in Michael addition reactions and other nucleophilic processes makes it versatile for designing novel molecular architectures.
Quality control and characterization of Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester typically involve advanced analytical techniques. HPLC analysis, mass spectrometry, and NMR spectroscopy are commonly employed to verify purity and structural integrity. These methods are particularly important given the compound's potential use in pharmaceutical development, where stringent quality standards must be maintained.
The commercial availability of CAS 26832-96-2 has increased in recent years to meet growing research demand. Suppliers typically offer this compound in various purity grades, with 98% purity being common for research applications. Proper storage conditions (typically 2-8°C in airtight containers) are recommended to maintain stability, as the compound may be sensitive to moisture and prolonged exposure to light.
Environmental and safety considerations for handling Propanedioic acid derivatives follow standard laboratory protocols. While not classified as highly hazardous, appropriate personal protective equipment (gloves, goggles, lab coat) should be used when working with this chemical. Proper ventilation is recommended, especially when handling larger quantities or during prolonged exposure.
Future research directions for this compound may explore its potential in catalysis, material science, and drug discovery. The unique combination of fluorine substitution and ester functionality presents opportunities for developing new synthetic methodologies and biologically active molecules. As computational chemistry tools advance, molecular modeling studies of this compound and its derivatives may provide valuable insights for rational drug design.
For researchers interested in fluorinated building blocks or specialty esters, Propanedioic acid,2-[[(4-fluorophenyl)amino]methylene]-, 1,3-diethyl ester represents an interesting case study in molecular design. Its balanced combination of reactivity and stability makes it valuable for both academic investigations and industrial applications. As the pharmaceutical industry continues to explore fluorine-containing compounds, the importance of such specialized intermediates is likely to grow.
The synthesis and applications of CAS 26832-96-2 are frequently discussed in scientific literature, particularly in contexts involving heterocyclic chemistry and medicinal chemistry. Recent publications have highlighted its use in creating compounds with potential biological activity, demonstrating the ongoing relevance of this molecular scaffold in contemporary research.
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