Lot numbers can be found on the outside label of a product:
Methyl 3-hydroxy-1-methyl-1H-pyrazole-5-carboxylate
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CAS No. 52867-42-2
- Cat. No. CS-0047149
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 52867-42-2
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General Information
- CAS No. 52867-42-2
- Cat. No. CS-0047149
- Purity ≥96%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₈N₂O₃
- Molecular Weight 156.14
- Synonym(s) Methyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
- SMILES O=C(C1=CC(O)=NN1C)OC
Description
Methyl 3-hydroxy-1-methyl-1H-pyrazole-5-carboxylate features a pyrazole core with strategically positioned hydroxyl and methyl groups, enabling selective functionalization. The electron-rich heterocycle pairs well with transition metal catalysts, while the ester moiety offers compatibility in cross-coupling and derivatization workflows under standard conditions.
Application
Methyl 3-hydroxy-1-methyl-1H-pyrazole-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrazole scaffolds. The pendant hydroxyl group facilitates derivatization via etherification or esterification, while the methyl ester supports standard transformations such as hydrolysis and coupling reactions. Its bench-stable nature and compatibility with common reaction conditions make it suitable for iterative synthetic sequences in medicinal chemistry and process development.
Synthesis
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Route1
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302-15-8 -
In-stock
762-42-5 - ~53%
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In-stock
52867-42-2
References
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AICURIS GMBH and CO. KG; KLENKE, Burkhard; WIEGAND, Irith; SCHIFFER, Guido; BROETZ-OESTERHELT, Heike; MAITI, Samarendra N.; KHAN, Jehangir; REDDY, Andhe; YANG, Zhixiang; HENA, Mostafa; JIA, Guofeng; LIGONG, Ou; LIANG, Hong; YIP, Judy; GAO, Chuanjun; TAJAMMUL, Sabiha; MOHAMMAD, Rahim; BISWAJEET, Ganguli Patent: WO2013/110643 A1, 2013 ; Location in patent: Paragraph 00351; 00352 ;
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Route2
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In-stock
86625-25-4 -
74-88-4
- ~17%
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In-stock
52867-42-2
References
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F. HOFFMANN-LA ROCHE AG; JAKOB-ROETNE, Roland; LUCAS, Matthew, C.; THOMAS, Andrew Patent: WO2010/127975 A1, 2010 ; Location in patent: Page/Page column 84 ;
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Route3
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In-stock
762-42-5
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60-34-4
- ~23%
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In-stock
52867-42-2
References
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Takeda Pharmaceutical Company Limited Patent: EP2530078 A1, 2012 ; Location in patent: Page/Page column 208-209 ;
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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 64.35
- LogP -0.0877
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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