Lot numbers can be found on the outside label of a product:
1-Phenyl-1H-pyrazole-4-carboxylic acid
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CAS No. 1134-50-5
- Cat. No. CS-W019242
- Purity≥98%
- MDL No.MFCD00514518
*For research and further manufacturing use only, not for direct human use.
Structure of 1134-50-5
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General Information
- CAS No. 1134-50-5
- Cat. No. CS-W019242
- Purity ≥98%
- MDL No. MFCD00514518
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₈N₂O₂
- Molecular Weight 188.18
- Synonym(s) 1-phenylpyrazole-4-carboxylic acid
- SMILES O=C(C1=CN(C2=CC=CC=C2)N=C1)O
Description
1-Phenyl-1H-pyrazole-4-carboxylic acid features a conjugated pyrazole core bearing a phenyl group at the 1-position and a carboxylic acid at the 4-position, enabling versatile integration into bioactive scaffolds. This electron-deficient heterocycle exhibits enhanced solubility in polar solvents and stability under standard bench conditions, facilitating direct use in coupling reactions and medicinal chemistry campaigns without requiring derivatization.
Application
1-Phenyl-1H-pyrazole-4-carboxylic acid serves as a versatile scaffold for medicinal chemistry and synthetic methodology development. Its carboxylic acid functionality enables direct amidation, esterification, and coupling reactions under standard conditions. The pyrazole core exhibits robust bench stability and functional group tolerance, facilitating incorporation into diverse heterocyclic systems. This compound functions as a key building block in the synthesis of bioactive molecules and serves as a structural motif in pharmaceutical research.
Synthesis
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Route1
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In-stock
54605-72-0 - ~95%
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In-stock
1134-50-5
References
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L'OREAL Patent: US2006/34786 A1, 2006 ; Location in patent: Page/Page column 62-63 ; US 20060034786 A1
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Route2
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In-stock
885-94-9 - ~98%
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In-stock
1134-50-5
References
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Goddard Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 6 p. 1607 - 1612
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Route3
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2600-63-7 - ~%
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In-stock
1134-50-5
References
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Tanaka; Wachi; Terada Chemical and Pharmaceutical Bulletin, 1980 , vol. 28, # 4 p. 1265 - 1269
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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 55.12
- LogP 1.5705
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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