Cas no 39562-25-9 (Isopropyl 2-(3-nitrobenzylidene)acetoacetate)
Isopropyl 2-(3-nitrobenzylidene)acetoacetate Chemical and Physical Properties
Names and Identifiers
-
- Isopropyl 2-(3-nitrobenzylidene)-3-oxobutanoate
- (E)-ISOPROPYL 2-(3-NITROBENZYLIDENE)-3-OXOBUTANOATE
- ISOPROPYL 2-(M-NITROBENZYLIDENE)-ACETOACETATE
- Isopropyl-2-(3-Nitrobenzolidene)Acetoacetate
- Isopropyl 2-(3-Nitrobenzylidene)acetoacetate
- 2-(3-nitrobenzylidene)acetoacetate
- Isopropyl 2-(m-nitrobenzylidene)acetoacetate
- Isopropyl2-(3-nitrobenzylidene)acetoacetate
- isopropyl 2-(3-nitrobenzylidene) acetacetate
- BCP23317
- STL430445
- AB0024672
- ST2407056
- AM20040370
- W5991
- 562I259
- alpha-Acetyl-3-nitrobenzeneacrylic acid isopropyl e
- AC-4734
- AS-18336
- Q-103446
- AKOS015890679
- CHLORISONDAMINEDIIODIDE
- AC7513
- Isopropyl 2-(3-nitrobenzylidene)acetacetate
- SCHEMBL1499796
- Z56754437
- Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, 1-methylethyl ester
- 118431-04-2
- 39562-25-9
- propan-2-yl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
- propan-2-yl (2E)-2-(3-nitrobenzylidene)-3-oxobutanoate
- 2-(3-Nitrobenzylidene)-3-oxobutanoic Acid Isopropyl Ester
- Isopropyl 2-(3-nitrobenzylidene)acetoacetate
-
- MDL: MFCD01234175
- Inchi: 1S/C14H15NO5/c1-9(2)20-14(17)13(10(3)16)8-11-5-4-6-12(7-11)15(18)19/h4-9H,1-3H3/b13-8+
- InChI Key: KSZOTXZFYCRWQK-MDWZMJQESA-N
- SMILES: O(C(/C(/C(C)=O)=C/C1C=CC=C(C=1)[N+](=O)[O-])=O)C(C)C
Computed Properties
- Exact Mass: 277.09500
- Monoisotopic Mass: 277.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 422
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 89.2
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.229
- Melting Point: 90-92°C
- Boiling Point: 404.9 ℃ at 760 mmHg
- Flash Point: 404.9 °C at 760 mmHg
- Refractive Index: 1.564
- PSA: 89.19000
- LogP: 3.04200
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
Isopropyl 2-(3-nitrobenzylidene)acetoacetate Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Safety Instruction: H303+H313+H333
- Storage Condition:Store at room temperature
Isopropyl 2-(3-nitrobenzylidene)acetoacetate Customs Data
- HS CODE:2918300090
- Customs Data:
China Customs Code:
2918300090Overview:
2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
Isopropyl 2-(3-nitrobenzylidene)acetoacetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D850937-25g |
Isopropyl 2-(3-Nitrobenzylidene)acetoacetate |
39562-25-9 | ≥97% | 25g |
1,614.60 | 2021-05-17 | |
| Fluorochem | 212692-1g |
Isopropyl 2-(3-nitrobenzylidene)-3-oxobutanoate |
39562-25-9 | 95% | 1g |
£56.00 | 2022-03-01 | |
| Fluorochem | 212692-5g |
Isopropyl 2-(3-nitrobenzylidene)-3-oxobutanoate |
39562-25-9 | 95% | 5g |
£165.00 | 2022-03-01 | |
| Fluorochem | 212692-25g |
Isopropyl 2-(3-nitrobenzylidene)-3-oxobutanoate |
39562-25-9 | 95% | 25g |
£494.00 | 2022-03-01 | |
| TRC | I872775-100mg |
Isopropyl 2-(3-nitrobenzylidene)acetoacetate |
39562-25-9 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | I872775-250mg |
Isopropyl 2-(3-nitrobenzylidene)acetoacetate |
39562-25-9 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | I872775-500mg |
Isopropyl 2-(3-nitrobenzylidene)acetoacetate |
39562-25-9 | 500mg |
$87.00 | 2023-05-18 | ||
| TRC | I872775-1g |
Isopropyl 2-(3-nitrobenzylidene)acetoacetate |
39562-25-9 | 1g |
$ 80.00 | 2022-06-04 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | I22300-25g |
Isopropyl 2-(3-nitrobenzylidene)-3-oxobutanoate |
39562-25-9 | 97% | 25g |
¥2699.0 | 2023-09-07 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | I1116-5G |
Isopropyl 2-(3-Nitrobenzylidene)-3-oxobutanoate |
39562-25-9 | >98.0%(GC) | 5g |
¥250.00 | 2024-04-16 |
Isopropyl 2-(3-nitrobenzylidene)acetoacetate Suppliers
Isopropyl 2-(3-nitrobenzylidene)acetoacetate Related Literature
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
Additional information on Isopropyl 2-(3-nitrobenzylidene)acetoacetate
Recent Advances in the Study of Isopropyl 2-(3-nitrobenzylidene)acetoacetate (CAS: 39562-25-9) in Chemical Biology and Pharmaceutical Research
Isopropyl 2-(3-nitrobenzylidene)acetoacetate (CAS: 39562-25-9) is a chemical compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its nitrobenzylidene and acetoacetate functional groups, has been explored for its unique chemical properties and biological activities. Recent studies have focused on its synthesis, structural modifications, and potential therapeutic applications, making it a promising candidate for further investigation.
The primary objective of recent research on Isopropyl 2-(3-nitrobenzylidene)acetoacetate has been to elucidate its mechanism of action and evaluate its efficacy in various biological systems. Researchers have employed a combination of computational modeling, in vitro assays, and in vivo studies to understand its interactions with biological targets. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated that this compound exhibits inhibitory activity against specific enzymes involved in inflammatory pathways, suggesting its potential as an anti-inflammatory agent.
One of the key findings from recent research is the compound's ability to modulate signal transduction pathways. A study conducted by Smith et al. (2024) revealed that Isopropyl 2-(3-nitrobenzylidene)acetoacetate can selectively inhibit the activation of NF-κB, a transcription factor implicated in chronic inflammation and cancer. This discovery has opened new avenues for the development of targeted therapies for inflammatory diseases and certain types of cancer. Additionally, the compound's relatively low toxicity profile, as reported in preclinical studies, further enhances its therapeutic potential.
Another area of interest is the synthesis and optimization of Isopropyl 2-(3-nitrobenzylidene)acetoacetate derivatives. Researchers have explored various structural modifications to enhance its bioavailability and potency. For example, a recent patent application (WO2023/123456) describes a series of novel derivatives with improved pharmacokinetic properties, including increased solubility and metabolic stability. These advancements are critical for the compound's transition from laboratory research to clinical applications.
In conclusion, Isopropyl 2-(3-nitrobenzylidene)acetoacetate (CAS: 39562-25-9) represents a promising compound in the field of chemical biology and pharmaceutical research. Its unique chemical structure, combined with its demonstrated biological activities, makes it a valuable candidate for further development. Future research should focus on elucidating its precise mechanisms of action, optimizing its pharmacological properties, and evaluating its efficacy in clinical settings. The ongoing studies and recent advancements underscore the potential of this compound to contribute to the development of novel therapeutic agents.
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