Lot numbers can be found on the outside label of a product:
5-Methoxy-1H-benzo[d][1,2,3]triazole
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CAS No. 27799-91-3
- Cat. No. CS-0187155
- Purity≥97%
- MDL No.MFCD00962763
*For research and further manufacturing use only, not for direct human use.
![5-Methoxy-1H-benzo[d][1,2,3]triazole|CS-0187155](https://file.chemscene.com/productPIC/CS-0187155.gif)
Structure of 27799-91-3
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General Information
- CAS No. 27799-91-3
- Cat. No. CS-0187155
- Purity ≥97%
- MDL No. MFCD00962763
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₇N₃O
- Molecular Weight None
- Synonym(s) 5-Methoxy-1H-benzotriazole
- SMILES COC1=CC2=C(C=C1)N=NN2
Description
5-Methoxy-1H-benzo[d][1,2,3]triazole offers a stable, electron-rich heterocyclic scaffold that integrates readily into synthetic sequences. The methoxy substituent enhances solubility and modulates reactivity, while the triazole core provides a robust platform for coupling reactions. This compound serves as an effective building block in medicinal chemistry and materials synthesis, particularly where mild conditions and predictable functional group tolerance are required.
Application
5-Methoxy-1H-benzo[d][1,2,3]triazole serves as a stable, bench-ready heterocyclic building block for the synthesis of bioactive molecules and pharmaceutical intermediates. Its methoxy substituent enhances solubility and modulates electronic properties, enabling efficient coupling reactions and serving as a versatile scaffold in medicinal chemistry. The compound exhibits excellent functional group tolerance and facilitates straightforward purification, making it well-suited for iterative synthetic workflows.
Synthesis
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Route1
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106658-14-4 - ~83%
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In-stock
27799-91-3
References
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AVENTIS AGRICULTURE; MERIAL LIMITED; Soll, Mark David; Le Hir de Fallois, Loic Patrick; Huber, Scot Kevin; Lee, Hyoung Ik; Wilkinson, Douglas Edward; Jacobs, Robert Toms Patent: US2014/80862 A1, 2014 ; Location in patent: Paragraph 0552 ;
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Route2
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102-51-2 - ~59%
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In-stock
27799-91-3
References
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Patel, Pallav D.; Patel, Maulik R.; Kocsis, Bela; Kocsis, Erika; Graham, Steven M.; Warren, Andrew R.; Nicholson, Stacia M.; Billack, Blase; Fronczek, Frank R.; Talele, Tanaji T. European Journal of Medicinal Chemistry, 2010 , vol. 45, # 6 p. 2214 - 2222
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Route3
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33608-25-2 - ~%
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In-stock
27799-91-3
References
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Fel'dman; Usowskaja Zhurnal Obshchei Khimii, 1948 , vol. 18, p. 1699,1701 Chem.Abstr., 1949 , p. 2618
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 50.8
- LogP 0.9665
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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