Lot numbers can be found on the outside label of a product:
1-(4-methoxybenzyl)-1H-pyrazol-5-amine
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CAS No. 3528-45-8
- Cat. No. CS-B0974
- Purity≥95%
- MDL No.MFCD03596770
*For research and further manufacturing use only, not for direct human use.
Structure of 3528-45-8
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General Information
- CAS No. 3528-45-8
- Cat. No. CS-B0974
- Purity ≥95%
- MDL No. MFCD03596770
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₃N₃O
- Molecular Weight 203.24
- Synonym(s) 2-(4-Methoxy-benzyl)-2H-pyrazol-3-ylamine
- SMILES NC1=CC=NN1CC2=CC=C(OC)C=C2
Description
1-(4-Methoxybenzyl)-1H-pyrazol-5-amine features a pyrazole core functionalized with a methoxy-substituted benzyl group and an amine at the C5 position, enabling integration into diverse heterocyclic scaffolds. The electron-donating methoxy group enhances solubility and stabilizes reactive intermediates. This compound serves as a key building block for medicinal chemistry campaigns targeting kinase inhibitors and bioactive nitrogen-rich frameworks.
Application
1-(4-Methoxybenzyl)-1H-pyrazol-5-amine serves as a versatile building block for medicinal chemistry and heterocyclic synthesis. Its pyrazole core provides a rigid, electron-rich scaffold with defined regiochemistry, while the 4-methoxybenzyl group offers orthogonal handle for further functionalization or deprotection under mild conditions. The molecule exhibits excellent bench stability and facilitates efficient coupling reactions, making it well-suited for the construction of diverse API-relevant architectures in drug discovery workflows.
Synthesis
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Route1
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123-11-5 -
107-13-1 - ~61%
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In-stock
3528-45-8
References
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GENENTECH, INC.; FORMA TM, LLC; BAIR, Kenneth W.; BAUMEISTER, Timm R.; DRAGOVICH, Peter; GOSSELIN, Francis; YUEN, Po-Wai; ZAK, Mark; ZHENG, Xiaozhang Patent: WO2013/127267 A1, 2013 ; Location in patent: Page/Page column 83 ;
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Route2
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123-11-5
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7803-57-8
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107-13-1
- ~45%
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In-stock
3528-45-8
References
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AMBIT BIOSCIENCES CORPORATION; FARAONI, Raffaella; HADD, Michael, J.; HOLLADAY, Mark, W.; ROWBOTTOM, Martin; SETTI, Eduardo Patent: WO2012/30944 A2, 2012 ; Location in patent: Page/Page column 95-96 ; WO 2012/030944 A2
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Route3
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227617-24-5 - ~84%
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In-stock
3528-45-8
References
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Bristol-Myers Squibb Company Patent: EP1043998 B1, 2007 ; Location in patent: Page/Page column 13 ;
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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 53.07
- LogP 1.5222
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 3
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Key Words
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