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CAS No.: | 138274-14-3 |
---|---|
Name: | 2-Chloro-5-(phenylmethoxy)-pyrimidine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H9ClN2O |
Molecular Weight: | 220.658 |
Synonyms: | 5-(Benzyloxy)-2-chloropyrimidine; |
Density: | 1.278 g/cm3 |
Boiling Point: | 387 °C at 760 mmHg |
Flash Point: | 187.9 °C |
Appearance: | Yellow power |
PSA: | 35.01000 |
LogP: | 2.70900 |
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The 2-Chloro-5-(phenylmethoxy)-pyrimidine, with the CAS registry number 138274-14-3, has the IUPAC name of pyrimidine, 2-chloro-5-(phenylmethoxy)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H9ClN2O.
The physical properties of 2-Chloro-5-(phenylmethoxy)-pyrimidine are as following: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.27; (6)ACD/BCF (pH 7.4): 17.27; (7)ACD/KOC (pH 5.5): 267.5; (8)ACD/KOC (pH 7.4): 267.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 58.49 cm3; (15)Molar Volume: 172.5 cm3; (16)Polarizability: 23.18×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.278 g/cm3; (19)Flash Point: 187.9 °C; (20)Enthalpy of Vaporization: 61.12 kJ/mol; (21)Boiling Point: 387 °C at 760 mmHg; (22)Vapour Pressure: 7.57E-06 mmHg at 25°C.
Preparation of 2-Chloro-5-(phenylmethoxy)-pyrimidine: This chemical can be prepared by bromomethyl-benzene and 2-chloro-pyrimidin-5-ol. The reaction will need reagent K2CO3, and the solvent dimethylformamide. The reaction time is 1 hour with temperature of 99-100°C, and the yield is about 89.7%.
Uses of 2-Chloro-5-(phenylmethoxy)-pyrimidine: It can react with piperazine to produce 1-(5-Benzyloxy-2-pyrimidinyl)piperazine. This reaction will need solvent ethanol, and the yield is about 50.6%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COc2cnc(nc2)Cl
(2)InChI: InChI=1/C11H9ClN2O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2
(3)InChIKey: XOCCSJLRSSDCLM-UHFFFAOYAP