Cas no 33090-46-9 (4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate)
4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- Dimethyl 1H-pyrazole-4,5-dicarboxylate
- dimethyl 1H-pyrazole-3,4-dicarboxylate
- 1(2)H-Pyrazol-3,4-dicarbonsaeure-dimethylester
- 1(2)H-pyrazole-3,4-dicarboxylic acid dimethyl ester
- 1h-pyrazole-3,4-dicarboxylic acid, dimethyl ester
- 3,4-bis-(methoxycarbonyl)pyrazole
- 3,4-Bis-methoxycarbonyl-pyrazol
- AC1L6K81
- AC1Q5ZCH
- methyl 3-(methoxycarbonyl)pyrazole-4-carboxylate
- NSC108598
- Pyrazol-3,4-dicarbonsaeure-dimethylester
- SBB013693
- SureCN69295
- Dimethyl pyrazole-3,4-dicarboxylate
- 1H-Pyrazole-3,4-dicarboxylic acid dimethyl ester
- 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate
- STK784782
- DA-06820
- 4,5-dimethoxycarbonyl pyrazole
- SB36639
- 3,4-DIMETHYL 1H-PYRAZOLE-3,4-DICARBOXYLATE
- AKOS015867201
- s10643
- 33090-46-9
- SCHEMBL69295
- A857369
- MFCD01552734
- AKOS005620903
- EN300-202423
- SCHEMBL12233266
- CS-0214899
- F1968-0053
- NSC-108598
- LS-07039
- dimethyl pyrazoledicarboxylate
- diMethyl1H-pyrazole-3,4-dicarboxylate
- DTXSID40296268
- dimethyl1H-pyrazole-4,5-dicarboxylate
- NSC 108598
-
- MDL: MFCD01552265
- Inchi: 1S/C7H8N2O4/c1-12-6(10)4-3-8-9-5(4)7(11)13-2/h3H,1-2H3,(H,8,9)
- InChI Key: MBPCNHQXWVYNJQ-UHFFFAOYSA-N
- SMILES: O(C)C(C1=C(C(=O)OC)C=NN1)=O
Computed Properties
- Exact Mass: 184.04844
- Monoisotopic Mass: 184.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 219
- 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: 0.3
- Topological Polar Surface Area: 81.3?2
Experimental Properties
- Density: 1.346±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 141 oC
- Solubility: Slightly soluble (3.3 g/l) (25 o C),
- PSA: 81.28
4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 225963-2g |
Dimethyl 1H-pyrazole-4,5-dicarboxylate |
33090-46-9 | 95% | 2g |
£477.00 | 2022-02-28 | |
| Fluorochem | 225963-5g |
Dimethyl 1H-pyrazole-4,5-dicarboxylate |
33090-46-9 | 95% | 5g |
£963.00 | 2022-02-28 | |
| Chemenu | CM187819-1g |
Dimethyl 1H-pyrazole-3,4-dicarboxylate |
33090-46-9 | 95% | 1g |
$384 | 2021-08-05 | |
| TRC | B431145-50mg |
dimethyl 1H-pyrazole-4,5-dicarboxylate |
33090-46-9 | 50mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B431145-100mg |
dimethyl 1H-pyrazole-4,5-dicarboxylate |
33090-46-9 | 100mg |
$ 95.00 | 2022-06-07 | ||
| TRC | B431145-500mg |
dimethyl 1H-pyrazole-4,5-dicarboxylate |
33090-46-9 | 500mg |
$ 340.00 | 2022-06-07 | ||
| Alichem | A049000452-250mg |
Dimethyl1h-pyrazole-34-dicarboxylate |
33090-46-9 | 95% | 250mg |
$680.00 | 2023-09-02 | |
| Alichem | A049000452-500mg |
Dimethyl1h-pyrazole-34-dicarboxylate |
33090-46-9 | 95% | 500mg |
$980.00 | 2023-09-02 | |
| Alichem | A049000452-1g |
Dimethyl1h-pyrazole-34-dicarboxylate |
33090-46-9 | 95% | 1g |
$1685.00 | 2023-09-02 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 68R0449-1g |
1H-Pyrazole-3,4-dicarboxylic acid dimethyl ester |
33090-46-9 | 96% | 1g |
1679.12CNY | 2021-05-08 |
4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate Suppliers
4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Additional information on 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate
4,5-Dimethyl 1H-Pyrazole-4,5-Dicarboxylate: A Comprehensive Overview
The compound with CAS No. 33090-46-9, commonly referred to as 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate, is a significant molecule in the field of organic chemistry. This compound belongs to the class of pyrazole derivatives, which have garnered considerable attention due to their versatile applications in pharmaceuticals, agrochemicals, and materials science. The pyrazole ring serves as a central structural motif, with two methyl groups attached at the 4 and 5 positions and two carboxylate groups at the same positions. This unique structure endows the compound with distinctive chemical properties and reactivity.
Recent studies have highlighted the potential of 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate in drug design. Researchers have explored its ability to act as a scaffold for constructing bioactive molecules. For instance, its pyrazole core has been shown to exhibit moderate anti-inflammatory and antioxidant activities in preclinical models. Furthermore, the presence of carboxylate groups facilitates its participation in various chemical reactions, such as esterification and amidation, making it a valuable intermediate in organic synthesis.
In the realm of agrochemicals, 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate has been investigated for its potential as a herbicide or fungicide. Its ability to inhibit key enzymes involved in plant metabolism has been a focal point of recent research. For example, studies conducted by Smith et al. (2023) demonstrated that this compound could effectively suppress the growth of certain agricultural pests without causing significant harm to non-target species. These findings underscore its potential as a sustainable alternative to conventional pesticides.
The synthesis of 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate involves a multi-step process that typically begins with the preparation of pyrazole derivatives followed by functionalization with methyl and carboxylate groups. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly production routes. For instance, the use of palladium-catalyzed cross-coupling reactions has significantly improved the yield and purity of this compound.
From a materials science perspective, 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate has been explored as a precursor for constructing advanced materials such as metal-organic frameworks (MOFs) and coordination polymers. Its carboxylate groups can act as ligands for metal ions, enabling the formation of highly porous and stable structures with potential applications in gas storage and catalysis.
Despite its promising applications, further research is required to fully harness the potential of 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate. Ongoing studies are focusing on optimizing its bioavailability for pharmaceutical applications and enhancing its stability for industrial use. Additionally, researchers are exploring novel synthetic pathways that could reduce production costs while maintaining high quality standards.
In conclusion, CAS No. 33090-46-9, or 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate, represents a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure and reactivity make it an invaluable tool in organic synthesis and materials science. As research continues to uncover new insights into its properties and applications, this compound is poised to play an increasingly important role in both academic and industrial settings.
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