Cas no 473681-77-5 (1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde)
1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde is a pyrazole-based aldehyde derivative with potential applications in organic synthesis and pharmaceutical research. Its structure features a 3,4-dimethylphenyl substituent and a formyl group at the 4-position of the pyrazole ring, making it a versatile intermediate for further functionalization. The compound's rigid heterocyclic core and reactive aldehyde group enable its use in the development of biologically active molecules or as a precursor for more complex heterocycles. Its well-defined molecular architecture ensures consistent reactivity, which is advantageous for controlled synthetic transformations. The presence of methyl groups may enhance solubility in organic solvents, facilitating handling in laboratory settings.
473681-77-5 structure
Product Name:1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde
CAS No:473681-77-5
MF:C13H14N2O2
MW:230.262463092804
CID:324541
PubChem ID:71464130
Update Time:2025-05-27
1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde
- 1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazole-4-carbaldehyde
- 1-(3,4-Dimethylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4-carboxaldehyde
- 1H-Pyrazole-4-carboxaldehyde,1-(3,4-dimethylphenyl)-4,5-dihydro-3-methyl-5-oxo-
- N-Acetyl-D-mannosamineMonohydrate
- DTXSID30855909
- 473681-77-5
- AKOS016011694
- FT-0688739
- A7261
-
- Inchi： 1S/C13H14N2O2/c1-8-4-5-11(6-9(8)2)15-13(17)12(7-16)10(3)14-15/h4-7,12H,1-3H3
- InChI Key： KIIIYTQARZPICB-UHFFFAOYSA-N
- SMILES： O=C1C(C=O)C(C)=NN1C1=CC=C(C)C(C)=C1
Computed Properties
- Exact Mass: 230.105527694g/mol
- Monoisotopic Mass: 230.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 364
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- Density: 1.245
- Boiling Point: 399.7°C at 760 mmHg
- Flash Point: 195.5°C
- Refractive Index: 1.631
1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM188527-1g |
1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde |
473681-77-5 | 95% | 1g |
$729 | 2021-08-05 | |
| Alichem | A049002951-1g |
1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde |
473681-77-5 | 95% | 1g |
$628.00 | 2023-09-01 | |
| Chemenu | CM188527-1g |
1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde |
473681-77-5 | 95% | 1g |
$676 | 2024-07-16 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1536269-1g |
1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde |
473681-77-5 | 98% | 1g |
￥6405.00 | 2024-05-12 | |
| Crysdot LLC | CD11120573-1g |
1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde |
473681-77-5 | 95+% | 1g |
$772 | 2024-07-17 |
1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
473681-77-5 (1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde) Related Products
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