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147126-73-6

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Basic Information
CAS No.: 147126-73-6
Name: 5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
Article Data: 19
Molecular Structure:
Molecular Structure of 147126-73-6 (5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester)
Formula: C18H27N3O4S
Molecular Weight: 381.496
Synonyms: [1R-[1-A(2S*,5R*),2beta,5beta]]-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester;
Density: 1.42 g/cm3
Melting Point: 99-101 °C
Boiling Point: 525 °C at 760 mmHg
Flash Point: 271.3 °C
Appearance: White to off-white solid
PSA: 121.74000
LogP: 2.99880
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Chemistry

Molecular Structure of 5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester (CAS NO.147126-73-6):

Empirical Formula: C18H27N3O4S
Molecular Weight: 381.4897
 H bond acceptors: 7
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 119.52 Å2
Index of Refraction: 1.654
Molar Refractivity: 98.51 cm3
Molar Volume: 268.4 cm3
Surface Tension: 52.4 dyne/cm
Density: 1.42 g/cm3
Flash Point: 271.3 °C
Enthalpy of Vaporization: 79.9 kJ/mol
Boiling Point: 525 °C at 760 mmHg
Vapour Pressure: 4.1E-11 mmHg at 25°C
Melting point: 99-101°C
Product Categories: (intermediate of lamivudine); Chiral Reagents; Heterocycles

Specification

  5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester , with CAS number of 147126-73-6, can be called 1,3-oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester ; 2-Isopropyl-5-methylcyclohexyl 5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate ; 5-methyl-2-(propan-2-yl)cyclohexyl 5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate ; (2R-Cis)-4-Amino-1-[2(2-; carboxymentholyl)-1,3-; oxathiolan-5-yl]-2-(1h)-; pyrimidinone . 5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester (CAS NO.147126-73-6) is a white to off-white solid, used as lamivudine intermediate.