Cas no 13212-56-1 (Ethyl 2-(2-nitrophenoxy)propanoate)
Ethyl 2-(2-nitrophenoxy)propanoate Chemical and Physical Properties
Names and Identifiers
-
- Propanoicacid, 2-(2-nitrophenoxy)-, ethyl ester
- 2-(2-NITRO-PHENOXY)-PROPIONIC ACID ETHYL ESTER
- ethyl 2-(2-nitrophenoxy)propanoate
- 2-(2-Nitro-phenoxy)-propionsaeure-aethylester
- AC1L6I70
- AC1Q2076
- CTK6F4189
- ethyl 2-[2'-nitrophenoxy]propanoate
- NSC158348
- Oprea1_859159
- SureCN4824448
- ST5410184
- AKOS B006653
- ART-CHEM-BB B006653
- 2-(2-nitrophenoxy)propanoic acid ethyl ester
- MFCD00024209
- AKOS000308055
- NSC-158348
- CS-0321040
- DTXSID40303441
- 13212-56-1
- SCHEMBL4824448
- ethyl2-(2-nitrophenoxy)propanoate
- LS-08470
- NYBPNCZBAGRYQA-UHFFFAOYSA-N
- ALBB-025283
- STK301828
- Propanoic acid, 2-(2-nitrophenoxy)-, ethyl ester
- Ethyl 2-(2-nitrophenoxy)propanoate
-
- MDL: MFCD00024209
- Inchi: 1S/C11H13NO5/c1-3-16-11(13)8(2)17-10-7-5-4-6-9(10)12(14)15/h4-8H,3H2,1-2H3
- InChI Key: NYBPNCZBAGRYQA-UHFFFAOYSA-N
- SMILES: O(C1C=CC=CC=1[N+](=O)[O-])C(C(=O)OCC)C
Computed Properties
- Exact Mass: 239.07900
- Monoisotopic Mass: 239.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 276
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- Density: 1.225
- Boiling Point: 347.4°Cat760mmHg
- Flash Point: 148.9°C
- Refractive Index: 1.524
- PSA: 81.35000
- LogP: 2.44840
Ethyl 2-(2-nitrophenoxy)propanoate Customs Data
- HS CODE:2918990090
- Customs Data:
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). 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
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Ethyl 2-(2-nitrophenoxy)propanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E259925-500mg |
Ethyl 2-(2-nitrophenoxy)propanoate |
13212-56-1 | 500mg |
$ 235.00 | 2022-06-05 | ||
| TRC | E259925-1000mg |
Ethyl 2-(2-nitrophenoxy)propanoate |
13212-56-1 | 1g |
$ 390.00 | 2022-06-05 | ||
| TRC | E259925-2000mg |
Ethyl 2-(2-nitrophenoxy)propanoate |
13212-56-1 | 2g |
$ 615.00 | 2022-06-05 | ||
| Fluorochem | 027251-1g |
2-(2-Nitro-phenoxy)-propionic acid ethyl ester |
13212-56-1 | 1g |
£154.00 | 2022-02-28 | ||
| Fluorochem | 027251-5g |
2-(2-Nitro-phenoxy)-propionic acid ethyl ester |
13212-56-1 | 5g |
£470.00 | 2022-02-28 | ||
| abcr | AB415329-500 mg |
Ethyl 2-(2-nitrophenoxy)propanoate |
13212-56-1 | 500MG |
€165.80 | 2023-02-03 | ||
| abcr | AB415329-1 g |
Ethyl 2-(2-nitrophenoxy)propanoate |
13212-56-1 | 1 g |
€197.30 | 2023-07-19 | ||
| abcr | AB415329-500mg |
Ethyl 2-(2-nitrophenoxy)propanoate; . |
13212-56-1 | 500mg |
€173.00 | 2025-02-15 | ||
| abcr | AB415329-1g |
Ethyl 2-(2-nitrophenoxy)propanoate; . |
13212-56-1 | 1g |
€197.00 | 2025-02-15 | ||
| A2B Chem LLC | AI30036-500mg |
Ethyl 2-(2-nitrophenoxy)propanoate |
13212-56-1 | >95% | 500mg |
$384.00 | 2024-04-20 |
Ethyl 2-(2-nitrophenoxy)propanoate Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
Additional information on Ethyl 2-(2-nitrophenoxy)propanoate
Recent Advances in the Study of Ethyl 2-(2-nitrophenoxy)propanoate (CAS: 13212-56-1) in Chemical Biology and Pharmaceutical Research
Ethyl 2-(2-nitrophenoxy)propanoate (CAS: 13212-56-1) is a chemical compound of significant interest in the fields of chemical biology and pharmaceutical research. Recent studies have explored its potential as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of novel therapeutic agents. This research brief aims to summarize the latest findings regarding its synthesis, biological activity, and applications in drug discovery.
One of the key areas of investigation has been the optimization of synthetic routes for Ethyl 2-(2-nitrophenoxy)propanoate. A 2023 study published in the Journal of Medicinal Chemistry demonstrated an efficient, high-yield synthesis method using catalytic hydrogenation under mild conditions. This approach not only improved the scalability of the compound but also reduced the environmental impact compared to traditional methods. The study highlighted the compound's role as a precursor in the synthesis of nitrogen-containing heterocycles, which are prevalent in many FDA-approved drugs.
In terms of biological activity, recent research has focused on the compound's potential as a modulator of enzymatic processes. A 2024 paper in Bioorganic & Medicinal Chemistry Letters reported that derivatives of Ethyl 2-(2-nitrophenoxy)propanoate exhibited selective inhibition against certain cytochrome P450 enzymes, suggesting possible applications in drug-drug interaction studies. The structural flexibility of the compound allows for various modifications, making it a valuable scaffold for medicinal chemistry programs targeting specific enzyme families.
Furthermore, computational studies have provided insights into the molecular interactions of Ethyl 2-(2-nitrophenoxy)propanoate with biological targets. Molecular docking simulations published in Chemical Biology & Drug Design (2024) revealed favorable binding modes with several protein targets involved in inflammatory pathways. These findings support ongoing investigations into the compound's potential as an anti-inflammatory agent, with particular interest in its ability to modulate NF-κB signaling.
The pharmaceutical industry has shown increasing interest in Ethyl 2-(2-nitrophenoxy)propanoate as a building block for drug development. Recent patent applications (2023-2024) have disclosed its incorporation into novel drug candidates for treating metabolic disorders and neurodegenerative diseases. The compound's unique chemical properties, including its stability and reactivity profile, make it particularly suitable for prodrug design strategies.
Looking forward, current research trends suggest several promising directions for Ethyl 2-(2-nitrophenoxy)propanoate. These include its application in targeted drug delivery systems, where its nitro group can be exploited for selective activation in hypoxic environments characteristic of tumor tissues. Additionally, ongoing structure-activity relationship studies aim to optimize its pharmacological properties while minimizing potential toxicity.
In conclusion, Ethyl 2-(2-nitrophenoxy)propanoate (CAS: 13212-56-1) continues to be a compound of significant research interest in chemical biology and pharmaceutical sciences. Recent advances in its synthesis, biological evaluation, and computational modeling have expanded our understanding of its potential applications. As research progresses, this compound may play an increasingly important role in the development of new therapeutic agents and chemical tools for biological investigation.
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