Lot numbers can be found on the outside label of a product:
1,3-Dimethyl-1H-pyrazole-4-carbaldehyde
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CAS No. 25016-12-0
- Cat. No. CS-W019994
- Purity≥97%
- MDL No.MFCD00159635
*For research and further manufacturing use only, not for direct human use.
Structure of 25016-12-0
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General Information
- CAS No. 25016-12-0
- Cat. No. CS-W019994
- Purity ≥97%
- MDL No. MFCD00159635
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₈N₂O
- Molecular Weight None
- Synonym(s) 1,3-dimethylpyrazole-4-carbaldehyde
- SMILES O=CC1=CN(C)N=C1C
Description
1,3-Dimethyl-1H-pyrazole-4-carbaldehyde features a pyrazole core substituted with methyl groups at the 1- and 3-positions and an aldehyde function at the 4-position. This electron-deficient carbonyl moiety integrates readily into heterocyclic scaffolds, enabling efficient access to functionalized derivatives for medicinal chemistry and materials applications.
Application
1,3-Dimethyl-1H-pyrazole-4-carbaldehyde serves as a versatile building block in medicinal chemistry and synthetic organic chemistry. Its pyrazole core offers robust stability and favorable solubility, while the aldehyde functionality enables efficient derivatization via reductive amination, condensation, and nucleophilic addition reactions. The methyl groups enhance electronic modulation and steric control, facilitating selective transformations. This compound functions reliably in multistep syntheses of heterocyclic scaffolds and bioactive molecules, with straightforward purification and handling under standard laboratory conditions.
Synthesis
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Route1
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5771-02-8 -
68-12-2
- ~71%
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1353569-58-0
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In-stock
25016-12-0
References
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Chemistry of Heterocyclic Compounds, , vol. 47, # 8 p. 1048 - 1049
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Route2
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68-12-2
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In-stock
27006-76-4 - ~16%
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In-stock
25016-12-0
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26990-64-7
References
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Synthetic Communications, , vol. 34, # 9 p. 1541 - 1550
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Route3
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In-stock
694-48-4 -
68-12-2
- ~61%
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In-stock
25016-12-0
References
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Andreeva, M. A.; Karim, A. K. Kh.; Denisova, E. A.; Perevalov, V. P.; Stepanov, B. I.; et al. J. Gen. Chem. USSR (Engl. Transl.), 1980 , vol. 50, # 10 p. 2370 - 2375,1922 - 1926
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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 : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 34.89
- LogP 0.54102
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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