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57500-07-9

Basic Information
CAS No.: 57500-07-9
Name: 6-Benzyloxypurine
Article Data: 8
Molecular Structure:
Molecular Structure of 57500-07-9 (6-Benzyloxypurine)
Formula: C12H10N4O
Molecular Weight: 226.238
Synonyms: 6-Benzyloxypurine, 99%;
Density: 1.36 g/cm3
Melting Point: 173-175 °C(lit.)
Boiling Point: 508.3 °C at 760 mmHg
Flash Point: 180.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 63.69000
LogP: 1.93190
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  • 6-Benzyloxy-9H-purine

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    57500-07-9

    6-Benzyloxy-9H-purine

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

  • Debye Scientific

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  • 6-BENZYLOXYPURINE

  • Casno:

    57500-07-9

    6-BENZYLOXYPURINE

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    High purity Storage:bellow 20℃, HR<75%, in shade. Application:medicine

    Taizhou Blazer Biomedical Technology Co., Ltd. is located in Taizhou China Medical City。We are focuses on the development of APIs with high technical barrier and supplies the rela

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  • 6-Benzyloxypurine

  • Casno:

    57500-07-9

    6-Benzyloxypurine

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    1.We are specializing in providing customers with complete chemical raw materials.2.Superior quality, moderate price & quick delivery.3. Extensive international cooperation experience.4. Outstanding communication skills. Application:contact us for de

    Langchem is a research and development company specializing in custom synthesis of organic compounds and projects. Our credo is to provide products and services of the highest qual

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  • 6-Benzyloxy purine

  • Casno:

    57500-07-9

    6-Benzyloxy purine

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    Best quality & Attractive price & Professional service; Trial & Pilot & CommercialHenan Fine Chemicals Co., LTD. is a diversified technology - oriented integrated company, which mainly concentrates on fine chemicals. Our company is committed to becom

    Henan Fine Chemicals Co., LTD. is a diversified technology - oriented integrated company, which mainly concentrates on fine chemicals. Our company is committed to becoming the worl

  • Henan Fine Chemicals Co., Ltd

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Specification

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