Cas no 899709-49-0 (1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde)
1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde is a versatile heterocyclic aldehyde used as a key intermediate in organic synthesis and pharmaceutical research. Its pyrazole core and aldehyde functionality make it valuable for constructing complex molecules, particularly in the development of bioactive compounds and agrochemicals. The butyl and methyl substituents enhance its solubility in organic solvents, facilitating reactions such as condensations and nucleophilic additions. This compound exhibits stability under standard conditions, ensuring reliable performance in multi-step synthetic processes. Its well-defined structure and reactivity profile make it a preferred choice for researchers seeking precise functionalization in medicinal chemistry and material science applications.
899709-49-0 structure
Product Name:1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde
CAS No:899709-49-0
MF:C9H14N2O
MW:166.220262050629
CID:2128696
PubChem ID:3131815
Update Time:2025-06-27
1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde
- 1-butyl-3-methylpyrazole-4-carbaldehyde
- SBB009666
- ST50253082
- 1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde, AldrichCPR
- AKOS000301553
- CS-0297683
- 899709-49-0
- DB-363494
- EN300-1461176
-
- MDL： MFCD06805436
- Inchi： 1S/C9H14N2O/c1-3-4-5-11-6-9(7-12)8(2)10-11/h6-7H,3-5H2,1-2H3
- InChI Key： LLKWRJLYBFSPEL-UHFFFAOYSA-N
- SMILES： O=CC1C(C)=NN(C=1)CCCC
Computed Properties
- Exact Mass: 166.110613074g/mol
- Monoisotopic Mass: 166.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 150
- 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
- Topological Polar Surface Area: 34.9
- XLogP3: 1.3
1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde Security Information
-
Hazardous Material Identification：
- HazardClass：IRRITANT
1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 019614-500mg |
1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 500mg |
3055CNY | 2021-05-07 | ||
| Chemenu | CM376138-1g |
1-butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 95%+ | 1g |
$326 | 2023-01-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 019614-500mg |
1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 500mg |
3055.0CNY | 2021-07-13 | ||
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ1489-1G |
1-butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 95% | 1g |
￥ 1,841.00 | 2023-04-13 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ1489-5G |
1-butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 95% | 5g |
￥ 5,524.00 | 2023-04-13 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ1489-10G |
1-butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 95% | 10g |
￥ 8,276.00 | 2023-04-13 | |
| Enamine | EN300-1461176-0.05g |
1-butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 0.05g |
$612.0 | 2023-05-23 | ||
| Enamine | EN300-1461176-0.1g |
1-butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 0.1g |
$640.0 | 2023-05-23 | ||
| Enamine | EN300-1461176-0.25g |
1-butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 0.25g |
$670.0 | 2023-05-23 | ||
| Enamine | EN300-1461176-0.5g |
1-butyl-3-methyl-1H-pyrazole-4-carbaldehyde |
899709-49-0 | 0.5g |
$699.0 | 2023-05-23 |
1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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