Cas no 54401-65-9 (4H-Quinolizine-1-carbonitrile, 4-oxo-)
4H-Quinolizine-1-carbonitrile, 4-oxo-, is a heterocyclic organic compound featuring a quinolizine core functionalized with a cyano group at the 1-position and a carbonyl group at the 4-position. This structure imparts reactivity suitable for applications in pharmaceutical and agrochemical synthesis, particularly as a versatile intermediate for constructing complex nitrogen-containing frameworks. Its high purity and stability under standard conditions make it a reliable reagent for nucleophilic and electrophilic transformations. The compound’s well-defined molecular architecture enables precise modifications, facilitating its use in targeted drug discovery and material science research. Its synthetic utility is further enhanced by compatibility with common organic solvents and reaction conditions.
54401-65-9 structure
Product Name:4H-Quinolizine-1-carbonitrile, 4-oxo-
CAS No:54401-65-9
MF:C10H6N2O
MW:170.16744184494
CID:1588739
PubChem ID:15526323
Update Time:2025-10-17
4H-Quinolizine-1-carbonitrile, 4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Quinolizine-1-carbonitrile, 4-oxo-
- 4-oxo-5H-quinolizine-1-carbonitrile
- 54401-65-9
- 4-oxoquinolizine-1-carbonitrile
- 4-oxo-4H-quinolizine-1-carbonitrile
-
- Inchi： 1S/C10H6N2O/c11-7-8-4-5-10(13)12-6-2-1-3-9(8)12/h1-6H
- InChI Key： ODZRQKJKMQMMNY-UHFFFAOYSA-N
- SMILES： O=C1C=CC(C#N)=C2C=CC=CN21
Computed Properties
- Exact Mass: 170.04808
- Monoisotopic Mass: 170.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 429
- 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: 0.8
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.1
4H-Quinolizine-1-carbonitrile, 4-oxo- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1737815-1g |
4-Oxo-4h-quinolizine-1-carbonitrile |
54401-65-9 | 98% | 1g |
￥5537.00 | 2024-05-09 | |
| Crysdot LLC | CD11107285-1g |
4-Oxo-4H-quinolizine-1-carbonitrile |
54401-65-9 | 95+% | 1g |
$559 | 2024-07-18 |
4H-Quinolizine-1-carbonitrile, 4-oxo- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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