Cas no 99358-47-1 (4-Cinnolinecarbonitrile, 2,3,5,6,7,8-hexahydro-3-oxo-)
4-Cinnolinecarbonitrile, 2,3,5,6,7,8-hexahydro-3-oxo-, is a heterocyclic compound featuring a cinnoline core with a nitrile functional group and a ketone moiety. Its partially hydrogenated structure enhances stability while retaining reactivity, making it a valuable intermediate in synthetic organic chemistry. The presence of both electron-withdrawing (nitrile) and electron-donating (ketone) groups allows for versatile reactivity in nucleophilic and electrophilic transformations. This compound is particularly useful in the synthesis of pharmacologically active molecules and agrochemicals due to its rigid yet modifiable framework. Its well-defined structure and functional group compatibility facilitate precise derivatization, supporting applications in medicinal chemistry and material science.
99358-47-1 structure
Product Name:4-Cinnolinecarbonitrile, 2,3,5,6,7,8-hexahydro-3-oxo-
CAS No:99358-47-1
MF:C9H9N3O
MW:175.187261343002
CID:1992214
PubChem ID:83584535
Update Time:2025-06-07
4-Cinnolinecarbonitrile, 2,3,5,6,7,8-hexahydro-3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Cinnolinecarbonitrile, 2,3,5,6,7,8-hexahydro-3-oxo-
- 99358-47-1
- SCHEMBL15212233
- SYLPLBCAXNPUCI-UHFFFAOYSA-N
- 3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile
- Z3481621077
- 3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-4-carbonitrile
- 3-Hydroxy-5,6,7,8-tetrahydrocinnoline-4-carbonitrile
- EN300-6734800
-
- Inchi： 1S/C9H9N3O/c10-5-7-6-3-1-2-4-8(6)11-12-9(7)13/h1-4H2,(H,12,13)
- InChI Key： SYLPLBCAXNPUCI-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=C2C(CCCC2)=NN1
Computed Properties
- Exact Mass: 175.074561919Da
- Monoisotopic Mass: 175.074561919Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 65.3?2
4-Cinnolinecarbonitrile, 2,3,5,6,7,8-hexahydro-3-oxo- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-6734800-0.05g |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 0.05g |
$226.0 | 2023-07-07 | |
| Enamine | EN300-6734800-0.1g |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 0.1g |
$337.0 | 2023-07-07 | |
| Enamine | EN300-6734800-0.25g |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 0.25g |
$481.0 | 2023-07-07 | |
| Enamine | EN300-6734800-0.5g |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 0.5g |
$758.0 | 2023-07-07 | |
| Enamine | EN300-6734800-1.0g |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 1.0g |
$971.0 | 2023-07-07 | |
| Enamine | EN300-6734800-2.5g |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 2.5g |
$1903.0 | 2023-07-07 | |
| Enamine | EN300-6734800-5.0g |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 5.0g |
$2816.0 | 2023-07-07 | |
| Enamine | EN300-6734800-10.0g |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 10.0g |
$4176.0 | 2023-07-07 | |
| Aaron | AR0286ZO-50mg |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 50mg |
$336.00 | 2025-02-15 | |
| Aaron | AR0286ZO-100mg |
3-oxo-2,3,5,6,7,8-hexahydrocinnoline-4-carbonitrile |
99358-47-1 | 95% | 100mg |
$489.00 | 2025-02-15 |
4-Cinnolinecarbonitrile, 2,3,5,6,7,8-hexahydro-3-oxo- Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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