Cas no 1006343-72-1 (1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione)
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione is a β-diketone derivative featuring two 1,5-dimethylpyrazole substituents. This compound exhibits notable stability due to its rigid molecular structure, making it suitable for applications in coordination chemistry and as a ligand in metal complexes. The presence of the diketone moiety allows for strong chelation with transition metals, enhancing its utility in catalytic systems and material science. Its pyrazole groups contribute to steric and electronic modulation, improving selectivity in metal-binding processes. The compound's well-defined structure and synthetic reproducibility make it a reliable choice for research in organometallic chemistry and advanced material design.
1006343-72-1 structure
Product Name:1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione
CAS No:1006343-72-1
MF:C13H16N4O2
MW:260.291742324829
MDL:MFCD03419797
CID:3058843
PubChem ID:19588088
Update Time:2025-05-28
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Bis-(1,5-dimethyl-1H-pyrazol-4-yl)-propane-1,3-dione
- 1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione
- AKOS000308272
- BBL039650
- 1006343-72-1
- 1,3-BIS(1,5-DIMETHYL-1H-PYRAZOL-4-YL)-1,3-PROPANEDIONE
- CS-0279744
- STK349050
- EN300-228467
- CHEMBL4971757
- 1,3-bis(1,5-dimethylpyrazol-4-yl)propane-1,3-dione
-
- MDL: MFCD03419797
- Inchi: 1S/C13H16N4O2/c1-8-10(6-14-16(8)3)12(18)5-13(19)11-7-15-17(4)9(11)2/h6-7H,5H2,1-4H3
- InChI Key: GPQCOHZHUZITGL-UHFFFAOYSA-N
- SMILES: O=C(CC(C1C=NN(C)C=1C)=O)C1C=NN(C)C=1C
Computed Properties
- Exact Mass: 260.12732577Da
- Monoisotopic Mass: 260.12732577Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 340
- 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: 0.5
- Topological Polar Surface Area: 69.8?2
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB498434-250 mg |
1,3-Bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 250MG |
€231.60 | 2022-03-01 | ||
| abcr | AB498434-1 g |
1,3-Bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 1g |
€398.20 | 2022-03-01 | ||
| abcr | AB498434-5 g |
1,3-Bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 5g |
€974.50 | 2022-03-01 | ||
| Enamine | EN300-228467-0.05g |
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 95% | 0.05g |
$162.0 | 2024-06-20 | |
| Enamine | EN300-228467-0.1g |
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 95% | 0.1g |
$241.0 | 2024-06-20 | |
| Enamine | EN300-228467-0.25g |
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 95% | 0.25g |
$347.0 | 2024-06-20 | |
| Enamine | EN300-228467-0.5g |
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 95% | 0.5g |
$546.0 | 2024-06-20 | |
| Enamine | EN300-228467-1.0g |
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 95% | 1.0g |
$699.0 | 2024-06-20 | |
| Enamine | EN300-228467-2.5g |
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 95% | 2.5g |
$1370.0 | 2024-06-20 | |
| Enamine | EN300-228467-5.0g |
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione |
1006343-72-1 | 95% | 5.0g |
$2028.0 | 2024-06-20 |
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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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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