23146-06-7

Basic information

• Product Name: 7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
• Synonyms: 7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;3,7-Dihydro-7-(3-bromopropyl)-1,3-dimethyl-1H-purine-2,6-dione;Einecs 245-455-8
• CAS NO: 23146-06-7
• Molecular Formula: C₁₀H₁₃BrN₄O₂
• Molecular Weight: 301.13982
• EINECS: 245-455-8
• Mol File: 23146-06-7.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 484.7°Cat760mmHg
• Flash Point: 246.9°C
• Appearance: /
• Density: 1.68g/cm³
• Vapor Pressure: 1.5E-09mmHg at 25°C
• Refractive Index: 1.675
• CAS DataBase Reference: 7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione(23146-06-7)
• EPA Substance Registry System: 7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione(23146-06-7)

Safety Data

• Hazardous Substances Data: 23146-06-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H13BrN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3

Upstream product

• 23146-04-5 7-(3-hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 
• 58-55-9 theophylline 
• 109-64-8 1,3-dibromo-propane 

Downstream Products

• 205504-06-9 sesquihydrate 
• 113418-56-7 Wy 49051 
• 23146-04-5 7-(3-hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 

Relevant articles and documents

N-heterocyclic carbene-Pd(II) complex based on theophylline supported on Fe3O4@SiO2 nanoparticles: Highly active, durable and magnetically separable catalyst for green Suzuki-Miyaura and Sonogashira-Hagihara coupling reactions

In this paper, a novel heterogeneous palladium catalyst was synthesized by anchoring N-heterocyclic carbene-Pd(II) complex based on theophylline on magnetic Fe3O4@SiO2 nanoparticles. The synthesized magnetic composite was characterized by fourier transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), energy dispersive X-ray analysis (EDX), thermogravimetric analysis (TGA), vibration sample magnetometry (VSM), transmission electron microscopy (TEM), field emission scanning electron microscopy (FE-SEM), dynamic light scattering (DLS), N2 adsorption-desorption isotherm analysis (BET), UV–vis spectroscopy and elemental analysis. Also, loading content of palladium on the catalyst was measured by inductive coupled plasma (ICP) analysis. The synthesized catalyst was used successfully for the Suzuki cross-coupling reactions of various aryl halides (I, Br, Cl) with phenylboronic acids. This reaction was best performed in water as a green solvent in the presence of just 0.37–0.5 mol% of the catalyst at 60 °C. Also, we have reported this recyclable catalytic system as a stable phosphine-free Pd catalyst for the Sonogashira cross-coupling of aryl halides (I, Br, Cl) with terminal aromatic and aliphatic alkynes under solvent-free conditions. All coupling reactions proceeded with good to excellent yields. The catalyst showed good stability and was recovered and reused for eight reaction cycles without a significant loss in its catalytic activity. Also, the leaching of the catalyst has been examined by a hot filtration test and ICP-AES analysis.

Synthesis and characterization of novel 1,2,3-triazole-linked theophylline and coumarin s-triazines

A series of novel s-triazine-1,2,3-triazole-theophylline and s-triazine-1,2,3-triazole-coumarin generation-0 dendrimers has been synthesized and characterized by FT-IR, 1H and 13C NMR, and mass-spectral methods. Some selected compounds have been evaluated for antibacterial and antifungal activity against a variety of strains and for anti-cancer activity against 60 human cancer cell lines.

Theophylline derivatives as potential histamine H3-receptor antagonists

Previous results of histamine H3-receptors investigations allowed to formulate a general structure of H3-receptor antagonists. According to this model a series of compounds were obtained. As heterocycles they contained a theophylline moiety connected with a polar group (amine, ester, amide, and thiourea function) via an alkyl chain linked by a spacer to a lipophilic residue. The common distance between xanthine moiety and lipophilic rest was a six-link-chain. Selected compounds did not show significant H3-receptor antagonist activity and were weak antagonists at histamine H1-receptors.