Cas no 98589-58-3 (4-Pyridinebutanoicacid, a,g-dioxo-)
4-Pyridinebutanoic acid, α,γ-dioxo-, is a versatile heterocyclic compound featuring a pyridine ring with a butanoic acid side chain modified by α,γ-diketone functional groups. This structure imparts reactivity useful in organic synthesis, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry. The diketone moiety enhances its chelating properties, making it valuable in metal complexation and catalysis. Its pyridine core contributes to stability and solubility in polar solvents, facilitating applications in aqueous or mixed-phase reactions. The compound’s dual carbonyl groups also enable selective derivatization, supporting the development of tailored intermediates for drug discovery and material science.
98589-58-3 structure
Product Name:4-Pyridinebutanoicacid, a,g-dioxo-
CAS No:98589-58-3
MF:C9H7NO4
MW:193.156182527542
MDL:MFCD06245354
CID:812428
PubChem ID:516697
Update Time:2025-06-11
4-Pyridinebutanoicacid, a,g-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinebutanoicacid, a,g-dioxo-
- 2,4-DIOXO-4-PYRIDIN-4-YLBUTANOIC ACID
- 2,4-DIBROMOANISOLE
- 2,4-dioxo-4-(pyridin-4-yl)butanoic acid
- GL-0058
- CHEMBL177297
- BDBM50137852
- FT-0694451
- DTXSID10333674
- 2,4-Dioxo-4-pyridin-4-yl-butyric acid
- 98589-58-3
- MFCD06245354
- 2,4-dioxo-4-(4-pyridyl)butanoic acid
- 2,4-Dioxo-4-pyridin-4-ylbutanoic acid, AldrichCPR
- SCHEMBL17179998
- AKOS005257494
- DIETHANOLAMINESULFATE
-
- MDL： MFCD06245354
- Inchi： 1S/C9H7NO4/c11-7(5-8(12)9(13)14)6-1-3-10-4-2-6/h1-4H,5H2,(H,13,14)
- InChI Key： ROQQLNHLFCKPOQ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CN=CC=1)CC(C(=O)O)=O
Computed Properties
- Exact Mass: 193.03800
- Monoisotopic Mass: 394.007632
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 566
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.1
- Topological Polar Surface Area: 58.1
Experimental Properties
- Density: 1.41
- Melting Point: Not available
- Boiling Point: 478.5 °C at 760 mmHg
- Flash Point: 243.2 °C
- Refractive Index: 1.564
- PSA: 84.33000
- LogP: 0.30810
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
4-Pyridinebutanoicacid, a,g-dioxo- Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
-
Hazardous Material Identification：
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-Pyridinebutanoicacid, a,g-dioxo- Customs Data
- HS CODE：2933399090
- Customs Data：
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-Pyridinebutanoicacid, a,g-dioxo- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR01521-500mg |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid |
98589-58-3 | 500mg |
￡198.00 | 2023-09-02 | ||
| abcr | AB234013-1 g |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid |
98589-58-3 | 1 g |
€542.30 | 2023-07-20 | ||
| abcr | AB234013-5 g |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid |
98589-58-3 | 5 g |
€947.00 | 2023-07-20 | ||
| abcr | AB234013-10 g |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid |
98589-58-3 | 10 g |
€1,330.40 | 2023-07-20 | ||
| Matrix Scientific | 207439-0.500g |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid, 95% |
98589-58-3 | 95% | 0.500g |
$329.00 | 2023-09-07 | |
| Matrix Scientific | 207439-1g |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid, 95% |
98589-58-3 | 95% | 1g |
$590.00 | 2023-09-07 | |
| abcr | AB234013-1g |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid; . |
98589-58-3 | 1g |
€542.30 | 2025-04-14 | ||
| abcr | AB234013-5g |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid; . |
98589-58-3 | 5g |
€947.00 | 2025-04-14 | ||
| abcr | AB234013-10g |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid; . |
98589-58-3 | 10g |
€1330.40 | 2025-04-14 | ||
| A2B Chem LLC | AI65703-500mg |
2,4-Dioxo-4-pyridin-4-ylbutanoic acid |
98589-58-3 | 95% | 500mg |
$194.00 | 2024-07-18 |
4-Pyridinebutanoicacid, a,g-dioxo- Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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