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7295-02-5

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Basic Information
CAS No.: 7295-02-5
Name: 5-(BENZYLOXYMETHYL)URACIL
Article Data: 4
Molecular Structure:
Molecular Structure of 7295-02-5 (5-(BENZYLOXYMETHYL)URACIL)
Formula: C12H12N2O3
Molecular Weight: 232.239
Synonyms: Uracil,5-[(benzyloxy)methyl]- (7CI,8CI);5-(Benzyloxymethyl)uracil;NSC 212288;5-Benzyloxymethyl-1H-pyrimidine-2,4-dione;5-[(phenylmethoxy)methyl]-1,3-dihydropyrimidine-2,4-dione;5-[(benzyloxy)methyl]-2,4(1H,3H)-pyrimidinedione;5-(Benzyloxymethyl)uracil 98%;5-(Benzyloxymethyl)uracil;
Density: 1.239 g/cm3
Hazard Symbols: IrritantXi
PSA: 74.95000
LogP: 0.78000
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Specification

The 2,4(1H,3H)-Pyrimidinedione,5-[(phenylmethoxy)methyl]-, with the CAS registry number 7295-02-5, is also known as 5-(Benzyloxymethyl)uracil. This chemical's molecular formula is C12H12N2O3 and molecular weight is 232.24. What's more, its systematic name is 5-[(benzyloxy)methyl]pyrimidine-2,4(1H,3H)-dione.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,5-[(phenylmethoxy)methyl]- are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 11.38; (6)ACD/BCF (pH 7.4): 10.5; (7)ACD/KOC (pH 5.5): 198.43; (8)ACD/KOC (pH 7.4): 182.97; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 60.56 cm3; (15)Molar Volume: 187.4 cm3; (16)Polarizability: 24×10-24 cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.239 g/cm3.

Preparation: this chemical can be prepared by 5-hydroxymethyl-1H-pyrimidine-2,4-dione and phenylmethanol by heating. This reaction will need reagent aq. HCl with the reaction time of 1 hour. The yield is about 79%.

2,4(1H,3H)-Pyrimidinedione,5-[(phenylmethoxy)methyl]- can be prepared by 5-hydroxymethyl-1H-pyrimidine-2,4-dione and phenylmethanol.

Uses of 2,4(1H,3H)-Pyrimidinedione,5-[(phenylmethoxy)methyl]-: it can be used to produce O2',O3',O5'-triacetyl-5-benzyloxymethyl-uridine at the temperature of 20 ºC. It will need reagents N,O-bis(trimethylsilyl)acetamide, CF3SO3SiMe3 and solvent acetonitrile with the reaction time of 18 hours. The yield is about 74%.

2,4(1H,3H)-Pyrimidinedione,5-[(phenylmethoxy)methyl]- and tetra-O-acetyl-b-D-ribofuranose can be used to produce O2',O3',O5'-triacetyl-5-benzyloxymethyl-uridine

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C1\C(=C/NC(=O)N1)COCc2ccccc2
(2)InChI: InChI=1/C12H12N2O3/c15-11-10(6-13-12(16)14-11)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,13,14,15,16)
(3)InChIKey: QDNLNNAXVJQLJO-UHFFFAOYAJ