8-Bromo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

Name: 8-Bromo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 10381-82-5
Cat. No. CS-0367531
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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8-Bromo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione|CS-0367531

Structure of 10381-82-5

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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.

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

Computational Chemistry Data

TPSA 61.82
LogP -0.2668
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Purine compounds

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8-Bromo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

CAS No. 10381-82-5

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