CAS No.138274-14-3,2-Chloro-5-(phenylmethoxy)-pyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	138274-14-3
Name:	2-Chloro-5-(phenylmethoxy)-pyrimidine
Article Data:	9

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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Specification

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%.

2-Chloro-5-(phenylmethoxy)-pyrimidine can be prepared by bromomethyl-benzene and 2-chloro-pyrimidin-5-ol

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%.

2-Chloro-5-(phenylmethoxy)-pyrimidine can react with piperazine to produce 1-(5-Benzyloxy-2-pyrimidinyl)piperazine

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