6-Benzyloxypurine

The 6-Benzyloxypurine, with the CAS registry number of 57500-07-9, is also known as 6-Benzyloxypurine, 99%. It belongs to the product categories of Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Building Blocks; Heterocyclic Building Blocks; Purines. This chemical's molecular formula is C₁₂H₁₀N₄O and molecular weight is 226.23. What's more, its IUPAC name is 6-Phenylmethoxy-7H-purine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the 6-Benzyloxypurine are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.95; (6)ACD/BCF (pH 7.4): 36.38; (7)ACD/KOC (pH 5.5): 460.27; (8)ACD/KOC (pH 7.4): 453.27; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.83 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 63.96 cm³; (15)Molar Volume: 166.2 cm³; (16)Surface Tension: 70.6 dyne/cm; (17)Density: 1.36 g/cm³; (18)Flash Point: 180.1 °C; (19)Enthalpy of Vaporization: 74.92 kJ/mol; (20)Boiling Point: 508.3 °C at 760 mmHg; (21)Vapour Pressure: 5.95E-10 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 6-Chloro-7(9)H-purine with Phenylmethanol; sodium salt. The yield is about 45 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 6-Benzyloxy-9-(2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-9H-purine. This reaction needs reagent NaOtBu. Meanwhile, it needs solvent Tetrahydrofuran. this chemical can be prepared by at 20 °C. The yield is about 60 %.

 
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES:n2c(OCc1ccccc1)c3c(nc2)ncn3
(2) InChI:InChI=1/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)
(3) InChIKey:ZZZXGPGVDJDFCJ-UHFFFAOYAC