Lot numbers can be found on the outside label of a product:
5-Chloro-1-methyl-1H-pyrazole-4-carbaldehyde
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CAS No. 117007-77-9
- Cat. No. CS-0108682
- Purity≥97%
- MDL No.MFCD16619816
*For research and further manufacturing use only, not for direct human use.
Structure of 117007-77-9
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General Information
- CAS No. 117007-77-9
- Cat. No. CS-0108682
- Purity ≥97%
- MDL No. MFCD16619816
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₅ClN₂O
- Molecular Weight 144.56
- Synonym(s) 5-chloro-1-methylpyrazole-4-carbaldehyde
- SMILES O=CC1=C(Cl)N(C)N=C1
Description
5-Chloro-1-methyl-1H-pyrazole-4-carbaldehyde features a reactive aldehyde group flanked by a chlorinated pyrazole ring and a methyl substituent, enabling direct coupling in heterocyclic synthesis. This bench-stable scaffold integrates readily into pharmaceutical intermediates and functional materials, offering enhanced solubility and electronic tuning for targeted applications.
Application
5-Chloro-1-methyl-1H-pyrazole-4-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient access to heterocyclic scaffolds via nucleophilic addition and condensation reactions. The aldehyde functionality facilitates coupling with amines, hydrazines, and other nucleophiles under mild conditions, while the chloro and methyl substituents provide orthogonal handles for further functionalization. Bench-stable and readily purified by flash chromatography, it functions effectively in multistep synthesis workflows.
Synthesis
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Route1
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68-12-2 -
In-stock
33641-15-5 - ~77%
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In-stock
117007-77-9
References
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PFIZER JAPAN INC.; PFIZER INC.; RENOVIS, INC. Patent: WO2008/59370 A2, 2008 ; Location in patent: Page/Page column 49-50 ; WO 2008/059370 A2
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Route2
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1027329-25-4 - ~41%
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In-stock
117007-77-9
References
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Tawaraishi, Taisuke; Imoto, Hiroshi; Cho, Nobuo Patent: US2008/194617 A1, 2008 ; Location in patent: Page/Page column 64 ;
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Route3
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930-36-9
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68-12-2
- ~%
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In-stock
117007-77-9
References
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Reekie, Tristan A.; Kavanagh, Madeline E.; Longworth, Mitchell; Kassiou, Michael Synthesis (Germany), 2013 , vol. 45, # 23 p. 3211 - 3227
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 34.89
- LogP 0.886
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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