Cas no 1807290-18-1 (Ethyl 3-cyano-5-formyl-2-methoxybenzoate)
Ethyl 3-cyano-5-formyl-2-methoxybenzoate is a versatile benzoate ester derivative characterized by its multifunctional reactivity, including a cyano group, formyl group, and methoxy substituent. The presence of these functional groups makes it a valuable intermediate in organic synthesis, particularly for constructing heterocyclic compounds, pharmaceuticals, and fine chemicals. The ester moiety enhances solubility in organic solvents, facilitating further derivatization. Its structural features enable selective modifications, such as nucleophilic additions to the formyl group or cyano group transformations. This compound is particularly useful in medicinal chemistry and material science due to its ability to serve as a precursor for complex molecular frameworks. High purity and stability under standard conditions ensure reliable performance in synthetic applications.
1807290-18-1 structure
Product Name:Ethyl 3-cyano-5-formyl-2-methoxybenzoate
CAS No:1807290-18-1
MF:C12H11NO4
MW:233.220043420792
CID:4795040
Update Time:2025-10-17
Ethyl 3-cyano-5-formyl-2-methoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-cyano-5-formyl-2-methoxybenzoate
-
- Inchi: 1S/C12H11NO4/c1-3-17-12(15)10-5-8(7-14)4-9(6-13)11(10)16-2/h4-5,7H,3H2,1-2H3
- InChI Key: AWBWMAFDFBGKAU-UHFFFAOYSA-N
- SMILES: O(C)C1C(C#N)=CC(C=O)=CC=1C(=O)OCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 333
- XLogP3: 1.3
- Topological Polar Surface Area: 76.4
Ethyl 3-cyano-5-formyl-2-methoxybenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015006513-250mg |
Ethyl 3-cyano-5-formyl-2-methoxybenzoate |
1807290-18-1 | 97% | 250mg |
$484.80 | 2023-09-03 | |
| Alichem | A015006513-500mg |
Ethyl 3-cyano-5-formyl-2-methoxybenzoate |
1807290-18-1 | 97% | 500mg |
$798.70 | 2023-09-03 | |
| Alichem | A015006513-1g |
Ethyl 3-cyano-5-formyl-2-methoxybenzoate |
1807290-18-1 | 97% | 1g |
$1564.50 | 2023-09-03 |
Ethyl 3-cyano-5-formyl-2-methoxybenzoate Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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