Lot numbers can be found on the outside label of a product:
(1H-Pyrazol-3-yl)methanol
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CAS No. 23585-49-1
- Cat. No. CS-0052530
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 23585-49-1
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General Information
- CAS No. 23585-49-1
- Cat. No. CS-0052530
- Purity ≥97%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₄H₆N₂O
- Molecular Weight 98.10
- Synonym(s) 1H-pyrazole-5-methanol
- SMILES OCC1=NNC=C1
Description
(1H-Pyrazol-3-yl)methanol features a pyrazole ring bearing a reactive hydroxymethyl group, enabling direct functionalization at the 3-position. This bench-stable scaffold integrates readily into bioactive molecule design, offering enhanced solubility and hydrogen-bonding capacity for medicinal chemistry applications.
Application
(1H-Pyrazol-3-yl)methanol serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based scaffolds through functional group interconversion. Its benzylic alcohol functionality facilitates oxidation to the aldehyde or carboxylic acid, and it participates reliably in coupling reactions, including Suzuki-Miyaura and Ullmann-type transformations. The molecule exhibits good bench stability and is compatible with common protecting group strategies, supporting its use in multi-step synthesis of heterocyclic APIs and agrochemical intermediates.
Synthesis
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Route1
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In-stock
1621-91-6 - ~%
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In-stock
23585-49-1
References
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WO2014/66795 A1, ; Paragraph 0175 ;
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Route2
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107-19-7 -
18107-18-1
- ~17%
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In-stock
23585-49-1
References
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Mallams, Alan K.; Madison, Vincent; Paruch, Kamil Patent: US2007/66621 A1, 2007 ; Location in patent: Page/Page column 34 ; US 20070066621 A1
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Route3
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In-stock
5932-27-4 - ~73%
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In-stock
23585-49-1
References
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Luijten, W. C. M. M.; Thuijl, J. van Organic Mass Spectrometry, 1982 , vol. 17, # 7 p. 299 - 303
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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 48.91
- LogP -0.098
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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