Cas no 1119-43-3 (1,6-dimethyl hexa-2,4-dienedioate)
1,6-dimethyl hexa-2,4-dienedioate Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadienedioicacid, 1,6-dimethyl ester, (2E,4E)-
- trans,trans-Dimethyl muconate
- Dimethyl (E,E)-muconate
- Dimethyl trans,trans-muconate
- NSC 167514
- 1,6-dimethyl hexa-2,4-dienedioate
- Dimethyl (E,E)-2,4-hexadienoate
- E2B8XTM21E
- DIMETHYL 2,4-HEXADIENE-1,6-DIOATE
- 2,4-Hexadienedioic acid, dimethyl ester,
- 1733-37-5
- 1,6-DIMETHYL (2E,4E)-HEXA-2,4-DIENEDIOATE
- (1E,3E)-1,3-Butadiene-1,4-dicarboxylic acid dimethyl ester
- starbld0008151
- BAA11943
- Muconic acid (E,E)-form dimethyl ester [MI]
- trans,trans-muconic acid dimethyl ester
- dimethyl (2E,4E)-hexa-2,4-dienedioate
- EN300-1700269
- dimethyl hexa-2,4-dienedioate
- 2,4-Hexadienedioic acid, 1,6-dimethyl ester, (2E,4E)-
- (E,E)-dimethyl muconate
- SCHEMBL821014
- 2, dimethyl ester, (E,E)-
- 2,4-HEXADIENEDIOIC ACID DIMETHYL ESTER
- 1119-43-3
- Dimethyl (E,Z)-muconate
- UNII-E2B8XTM21E
- dimethyl trans-transmuconate
- Q27276777
- 2,4-Hexadienedioic acid, dimethyl ester, (E,Z)-
- NSC167514
- EN300-2010616
- Dimethyl muconate, (E,E)-
- dimethyl trans-muconate
- NSC-167514
- trans,trans dimethyl muconate
- Dimethyl (E,Z)-2,4-hexadienedioate
- (2E,4E)-muconic acid dimethyl ester
-
- MDL: MFCD00185584
- Inchi: 1S/C8H10O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H,1-2H3/b5-3+,6-4+
- InChI Key: PXYBXMZVYNWQAM-GGWOSOGESA-N
- SMILES: O(C)C(/C=C/C=C/C(=O)OC)=O
Computed Properties
- Exact Mass: 170.0579
- Monoisotopic Mass: 170.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 0.9
Experimental Properties
- Density: 1.099
- Melting Point: 157-158 oC
- Boiling Point: 251 oC
- Flash Point: 122 oC
- Refractive Index: 1.464
- PSA: 52.6
- LogP: 0.44480
1,6-dimethyl hexa-2,4-dienedioate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1700269-0.05g |
1,6-dimethyl (2E,4E)-hexa-2,4-dienedioate |
1119-43-3 | 95% | 0.05g |
$64.0 | 2023-07-10 | |
| Enamine | EN300-1700269-0.1g |
1,6-dimethyl (2E,4E)-hexa-2,4-dienedioate |
1119-43-3 | 95% | 0.1g |
$83.0 | 2023-07-10 | |
| Enamine | EN300-1700269-0.25g |
1,6-dimethyl (2E,4E)-hexa-2,4-dienedioate |
1119-43-3 | 95% | 0.25g |
$116.0 | 2023-07-10 | |
| Enamine | EN300-1700269-0.5g |
1,6-dimethyl (2E,4E)-hexa-2,4-dienedioate |
1119-43-3 | 95% | 0.5g |
$218.0 | 2023-07-10 | |
| Enamine | EN300-1700269-1.0g |
1,6-dimethyl (2E,4E)-hexa-2,4-dienedioate |
1119-43-3 | 95% | 1.0g |
$314.0 | 2023-07-10 | |
| Enamine | EN300-1700269-2.5g |
1,6-dimethyl (2E,4E)-hexa-2,4-dienedioate |
1119-43-3 | 95% | 2.5g |
$614.0 | 2023-07-10 | |
| Enamine | EN300-1700269-5.0g |
1,6-dimethyl (2E,4E)-hexa-2,4-dienedioate |
1119-43-3 | 95% | 5.0g |
$908.0 | 2023-07-10 | |
| Enamine | EN300-1700269-10.0g |
1,6-dimethyl (2E,4E)-hexa-2,4-dienedioate |
1119-43-3 | 95% | 10.0g |
$1346.0 | 2023-07-10 | |
| Enamine | EN300-2010616-0.05g |
1,6-dimethyl hexa-2,4-dienedioate |
1119-43-3 | 0.05g |
$311.0 | 2023-09-20 | ||
| Enamine | EN300-2010616-0.1g |
1,6-dimethyl hexa-2,4-dienedioate |
1119-43-3 | 0.1g |
$327.0 | 2023-09-20 |
1,6-dimethyl hexa-2,4-dienedioate Related Literature
-
Rui Lu,Huifang Jiang,Xiaoqin Si,Xiaolin Luo,Fang Lu,Jie Xu Chem. Commun. 2020 56 7499
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Nicholas A. Rorrer,Derek R. Vardon,John R. Dorgan,Erica J. Gjersing,Gregg T. Beckham Green Chem. 2017 19 2812
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Amy E. Settle,Laura Berstis,Nicholas A. Rorrer,Yuriy Roman-Leshkóv,Gregg T. Beckham,Ryan M. Richards,Derek R. Vardon Green Chem. 2017 19 3468
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S. E. Filippakis,L. Leiserowitz,G. M. J. Schmidt J. Chem. Soc. B 1967 290
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5. Topochemistry. Part XXIII. The solid-state photochemistry at 25° of some muconic acid derivativesM. Lahav,G. M. J. Schmidt J. Chem. Soc. B 1967 312
Additional information on 1,6-dimethyl hexa-2,4-dienedioate
Compound CAS No. 1119-43-3: 1,6-Dimethyl Hexa-2,4-Dienedioate
1,6-Dimethyl Hexa-2,4-Dienedioate (CAS No. 1119-43-3) is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a six-carbon chain with two methyl groups at the terminal positions and two double bonds at positions 2 and 4. The presence of these double bonds contributes to its reactivity and potential applications in various chemical reactions.
Recent studies have highlighted the importance of dienedioates like 1,6-dimethyl hexa-2,4-dienedioate in the synthesis of advanced materials. For instance, researchers have explored the use of this compound in the development of novel polymers with enhanced mechanical properties. The ability of dienedioates to undergo Diels-Alder reactions has been particularly valuable in creating cross-linked polymer networks that exhibit improved durability and thermal stability.
The synthesis of 1,6-dimethyl hexa-2,4-dienedioate typically involves multi-step organic reactions, including oxidation and esterification processes. These steps are carefully optimized to ensure high yield and purity of the final product. The compound's structure makes it highly versatile, enabling its use in a wide range of applications from pharmaceuticals to agrochemicals.
In terms of physical properties, 1,6-dimethyl hexa-2,4-dienedioate exhibits a melting point of approximately -5°C and a boiling point around 78°C under standard conditions. Its solubility in organic solvents such as dichloromethane and ethyl acetate makes it suitable for various solution-based reactions. The compound's stability under ambient conditions is another key factor that contributes to its practicality in industrial applications.
Recent advancements in analytical techniques have provided deeper insights into the molecular behavior of dienedioates like 1,6-dimethyl hexa-2,4-dienedioate. For example, nuclear magnetic resonance (NMR) spectroscopy has been instrumental in confirming the compound's structure and purity. Additionally, mass spectrometry has enabled researchers to study the fragmentation patterns of this compound during thermal decomposition, which is crucial for understanding its stability under different conditions.
The application of dienedioates in biochemistry has also garnered attention. Studies have shown that certain derivatives of dienedioates, including 1,6-dimethyl hexa-2,4-dienedioate, can act as inhibitors for specific enzymes involved in metabolic pathways. This opens up possibilities for their use in drug discovery and development.
In conclusion, compound CAS No. 1119-43-3, or 1,6-dimethyl hexa-2,4-dienedioate, is a versatile compound with a wide range of applications across multiple disciplines. Its unique structure and reactivity make it an invaluable tool in organic synthesis and materials science. As research continues to uncover new potential uses for this compound, its significance in both academic and industrial settings is expected to grow further.
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