Lot numbers can be found on the outside label of a product:
1H-Pyrazole-5-methanol, 1-methyl-
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CAS No. 84547-61-5
- Cat. No. CS-0030790
- Purity≥98%
- MDL No.MFCD08556301
*For research and further manufacturing use only, not for direct human use.
Structure of 84547-61-5
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General Information
- CAS No. 84547-61-5
- Cat. No. CS-0030790
- Purity ≥98%
- MDL No. MFCD08556301
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₈N₂O
- Molecular Weight 112.13
- Synonym(s) 5-(Hydroxymethyl)-1-methylpyrazole
- SMILES OCC1=CC=NN1C
Description
(1-Methyl-1H-pyrazol-5-yl)methanol features a pyrazole core with a methyl group at the 1-position and a hydroxymethyl substituent at the 5-position, delivering enhanced solubility and stability. This bench-stable, moisture-tolerant scaffold integrates readily into diverse synthetic pathways, enabling efficient access to functionalized heterocycles for medicinal chemistry and materials science applications.
Application
(1-Methyl-1H-pyrazol-5-yl)methanol serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-containing scaffolds. Its benzylic alcohol functionality facilitates direct oxidation to the carboxylic acid or conversion to esters and amides, while the pyrazole ring offers moderate stability and favorable solubility profiles. The molecule functions effectively in standard coupling reactions and supports diverse functionalization strategies, making it suitable for parallel synthesis campaigns and process-scale applications.
Synthesis
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Route1
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In-stock
16034-46-1 - ~64%
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In-stock
84547-61-5
References
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BIOENERGENIX; MCCALL, John; KELLY, Robert, C.; ROMERO, Donna, L. Patent: WO2014/66795 A1, 2014 ; Location in patent: Paragraph 0175 ;
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Route2
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In-stock
27258-33-9 - ~97%
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In-stock
84547-61-5
References
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Seto, Masaki; Miyamoto, Naoki; Aikawa, Katsuji; Aramaki, Yoshio; Kanzaki, Naoyuki; Iizawa, Yuji; Baba, Masanori; Shiraishi, Mitsuru Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 2 p. 363 - 386
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Route3
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930-36-9 -
68-12-2
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In-stock
84547-61-5
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In-stock
84547-62-6
References
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Bioorganic and Medicinal Chemistry, , vol. 9, # 4 p. 961 - 982
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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 38.05
- LogP -0.0876
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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