Lot numbers can be found on the outside label of a product:
8-Bromo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
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CAS No. 10381-82-5
- Cat. No. CS-0367531
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 10381-82-5
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General Information
- CAS No. 10381-82-5
- Cat. No. CS-0367531
- Purity ≥98%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₉BrN₄O₂
- Molecular Weight 273.09
- Synonym(s) Caffeine, 8-bromo-
- SMILES CN1C2=C(N=C1Br)N(C)C(=O)N(C)C2=O
Application
8-Bromo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione serves as a versatile building block for purine-derived scaffolds, enabling direct access to brominated analogs of caffeine and related xanthine derivatives. Its stability under standard reaction conditions facilitates functional group manipulation and subsequent coupling reactions. The molecule functions as a key intermediate in the synthesis of biologically active heterocycles, particularly in medicinal chemistry workflows requiring halogenation for downstream cross-coupling.
Synthesis
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Route1
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93703-24-3 -
74-88-4 - ~93%
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In-stock
10381-82-5
References
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PROTEOTECH INC; ESPOSITO, Luke; HANSON, Kelsey; YADON, Marisa, C.; LAKE, Thomas; KUMAR, Anil; SNOW, Alan, D.; CUMMINGS, Joel Patent: WO2013/62762 A1, 2013 ; Location in patent: Page/Page column 39; 40 ;
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Route2
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58-08-2
- ~99%
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In-stock
10381-82-5
References
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Soltani Rad, Mohammad Navid; Behrouz, Somayeh; Nekoei, Abdo-Reza Synlett, 2012 , vol. 23, # 8 p. 1191 - 1198
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Route3
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In-stock
10381-75-6 -
74-88-4
- ~71%
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In-stock
10381-82-5
References
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Vollmann, Karl; Mueller, Christa E. Heterocycles, 2002 , vol. 57, # 5 p. 871 - 879
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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
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Precautionary Statements : P264-P270-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 61.82
- LogP -0.2668
- H_Acceptors 6
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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