Cas no 35234-88-9 (2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E)-)
2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E)-
- Diethyl 2,3-dicyanofumarate
- diethyl (2E)-2,3-dicyanobut-2-enedioate
- 2-Butenedioic acid, 2,3-dicyano-, 1,4-diethyl ester, (2E)-
- diethyl (E)-2,3-dicyanobut-2-enedioate
- 35234-88-9
- 1,4-DIETHYL (2E)-2,3-DICYANOBUT-2-ENEDIOATE
- NS00055583
- EINECS 252-453-0
- diethyl (2E)-2,3-dicyanobut-2-ene-1,4-dioate
- InChI=1/C10H10N2O4/c1-3-15-9(13)7(5-11)8(6-12)10(14)16-4-2/h3-4H2,1-2H3/b8-7
- SCHEMBL1754710
- B9V4T4GNN6
- 1,4-Diethyl (2E)-2,3-dicyano-2-butenedioate
- DIETHYL DICYANOFUMARATE, 97
- DTXSID301262232
- 2-Butenedioic acid, 2,3-dicyano-, 1,4-diethyl ester
- AKOS001025555
- 1,4-Diethyl 2,3-dicyano-2-butenedioate
- 62381-06-0
- DIETHYL DICYANOFUMARATE
-
- Inchi: 1S/C10H10N2O4/c1-3-15-9(13)7(5-11)8(6-12)10(14)16-4-2/h3-4H2,1-2H3/b8-7+
- InChI Key: WOLPMKLWSJWZNO-BQYQJAHWSA-N
- SMILES: O(C(/C(/C#N)=C(\C#N)/C(=O)OCC)=O)CC
Computed Properties
- Exact Mass: 222.0641
- Monoisotopic Mass: 222.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 379
- 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: 0.8
- Topological Polar Surface Area: 100?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Melting Point: 114-118?°C(lit.)
- Boiling Point: 337.3±42.0 °C at 760 mmHg
- Flash Point: 147.1±18.1 °C
- PSA: 100.18
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E)- Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code: 20/21/22
- Safety Instruction: 26-27-36-36/39
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Hazardous Material Identification:
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AF98801-250mg |
DIETHYL DICYANOFUMARATE, 97 |
35234-88-9 | 96% | 250mg |
$363.00 | 2024-04-20 | |
| A2B Chem LLC | AF98801-1g |
DIETHYL DICYANOFUMARATE, 97 |
35234-88-9 | 96% | 1g |
$625.00 | 2024-04-20 |
2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E)- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E)-
Introduction to 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E) and Its Applications in Modern Chemical Biology
The compound with the CAS number 35234-88-9, identified as 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E), represents a fascinating molecule with significant potential in the realm of chemical biology and pharmaceutical research. This compound, characterized by its unique structural features, has garnered attention due to its versatile applications in drug discovery and synthetic chemistry. The presence of both cyano and ester functional groups, coupled with its diethyl substitution pattern, makes it a promising candidate for further exploration in various biochemical pathways.
In recent years, the study of 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E) has been influenced by advancements in computational chemistry and molecular modeling. These tools have enabled researchers to predict the compound's behavior in different biological environments with remarkable accuracy. The dicyano group introduces a strong electron-withdrawing effect, which can modulate the reactivity of the molecule. This feature is particularly useful in designing molecules that interact selectively with biological targets.
The 1,4-diethyl ester moiety adds another layer of complexity to the compound's structure. Esters are known for their ability to participate in hydrogen bonding and form stable complexes with proteins and other biomolecules. This property makes 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E) a valuable scaffold for developing novel therapeutic agents. Recent studies have highlighted its potential in inhibiting certain enzymes that play a crucial role in metabolic pathways associated with diseases such as diabetes and cancer.
One of the most intriguing aspects of this compound is its role as an intermediate in the synthesis of more complex molecules. The cyano groups can be further functionalized through various chemical reactions, allowing for the creation of derivatives with tailored properties. For instance, hydrolysis of the cyano groups can yield carboxylic acids, which can then be used to form amides or other bioactive molecules. This flexibility makes 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E) a versatile building block in synthetic organic chemistry.
Recent research has also explored the pharmacological properties of this compound. Studies have shown that derivatives of 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E) exhibit inhibitory effects on certain kinases and proteases. These enzymes are often overexpressed in cancer cells and are implicated in tumor growth and progression. By targeting these enzymes, researchers aim to develop novel anti-cancer agents that could offer improved efficacy and reduced side effects compared to existing therapies.
The synthesis of 2-Butenedioic acid,2,3-dicyano-, 1,4-diethyl ester, (2E) involves a series of well-defined chemical steps that highlight the ingenuity of modern synthetic methodologies. The process typically begins with the preparation of a diacetylene precursor followed by selective cyanation and esterification. Each step is carefully optimized to ensure high yields and purity. Advances in catalytic systems have further refined these synthetic routes, making them more efficient and environmentally friendly.
In conclusion,2-Butenedioic acid, ,dicyano, ,diethyl ester, ((E))CAS no:35234-88-9is a multifaceted compound with significant potential in chemical biology and pharmaceutical research. Its unique structural features make it a valuable tool for drug discovery and synthetic chemistry. As research continues to uncover new applications for this molecule,it is likely that we will see further development of derivatives that address unmet medical needs.
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