Lot numbers can be found on the outside label of a product:
9-Benzyl-2,6-dichloro-9H-purine
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CAS No. 79064-26-9
- Cat. No. CS-0019315
- Purity≥96%
- MDL No.MFCD11047303
*For research and further manufacturing use only, not for direct human use.
Structure of 79064-26-9
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General Information
- CAS No. 79064-26-9
- Cat. No. CS-0019315
- Purity ≥96%
- MDL No. MFCD11047303
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₈Cl₂N₄
- Molecular Weight 279.12
- Synonym(s) 9-benzyl-2,6-dichloropurine
- SMILES ClC1=C2N=CN(CC3=CC=CC=C3)C2=NC(Cl)=N1
Description
9-Benzyl-2,6-dichloro-9H-purine is a sterically hindered purine derivative featuring a benzyl group at the 9-position and chlorine atoms at the 2- and 6-positions. This configuration enhances stability and modulates electronic properties, enabling its use in targeted synthesis of purine-based scaffolds. The compound serves as a key intermediate in medicinal chemistry, particularly for kinase inhibitors and nucleoside analogs.
Application
9-Benzyl-2,6-dichloro-9H-purine serves as a versatile building block in purine-based synthesis, enabling efficient access to substituted purine scaffolds. The 2,6-dichloro substitution pattern facilitates sequential nucleophilic displacement reactions, while the 9-benzyl group provides stability and ease of removal under standard hydrogenolysis conditions. This compound exhibits excellent bench stability and functional group tolerance, making it well-suited for iterative coupling strategies in medicinal chemistry and heterocycle construction workflows.
Synthesis
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Route1
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100-39-0 -
In-stock
5451-40-1 - ~93%
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In-stock
79064-26-9
References
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SYNGENTA LIMITED; WHITTINGHAM, William, Guy; WINN, Caroline, Louise; BLANC, Julie, Evelyne; HACHISU, Shuji; HOTSON, Matthew, Brian; GLITHRO, Harry Patent: WO2011/45561 A2, 2011 ; Location in patent: Page/Page column 212 ;
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References
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Dalby, Christine; Bleasdale, Christine; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Griffin, Roger J. Angewandte Chemie, 1993 , vol. 105, # 12 p. 1822 - 1823
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References
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Lu, Weibing; Sengupta, Sujata; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong Journal of Organic Chemistry, 2007 , vol. 72, # 13 p. 5012 - 5015
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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 43.6
- LogP 3.1814
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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