2-(METHYLSULFONYL)ETHYL 4-NITROPHENYL CARBONATE

The Carbonic acid,2-(methylsulfonyl)ethyl 4-nitrophenyl ester, with CAS registry number 53298-30-9, belongs to the following product categories: (1)Amine ProtectionProtection and Derivatization; (2)Others; (3)Peptide Synthesis; (4)Protecting and Derivatizing Reagents; (5)Specialty Synthesis. It has the systematic name of 2-(methylsulfonyl)ethyl 4-nitrophenyl carbonate. This chemical should be stored at the temperature of 2-8°C. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Carbonic acid,2-(methylsulfonyl)ethyl 4-nitrophenyl ester: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.4; (6)ACD/BCF (pH 7.4): 2.4; (7)ACD/KOC (pH 5.5): 65.07; (8)ACD/KOC (pH 7.4): 65.07; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 123.87 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 63.72 cm³; (15)Molar Volume: 199.3 cm³; (16)Polarizability: 25.26×10^-24cm³; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.451 g/cm³; (19)Flash Point: 272.5 °C; (20)Enthalpy of Vaporization: 80.14 kJ/mol; (21)Boiling Point: 527 °C at 760 mmHg; (22)Vapour Pressure: 3.41E-11 mmHg at 25°C.

Uses of Carbonic acid,2-(methylsulfonyl)ethyl 4-nitrophenyl ester: it can be used to produce 5-(methoxyimino-methyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid 2-methanesulfonyl-ethyl ester. The reaction will need reagent triethylamine and solvent CH₂Cl₂. The reaction time is 60 min. The yield is about 51%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)OCCS(=O)(=O)C
(2)InChI: InChI=1/C10H11NO7S/c1-19(15,16)7-6-17-10(12)18-9-4-2-8(3-5-9)11(13)14/h2-5H,6-7H2,1H3
(3)InChIKey: RRMVRASAASKOHS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H11NO7S/c1-19(15,16)7-6-17-10(12)18-9-4-2-8(3-5-9)11(13)14/h2-5H,6-7H2,1H3
(5)Std. InChIKey: RRMVRASAASKOHS-UHFFFAOYSA-N