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7693-82-5

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Basic Information
CAS No.: 7693-82-5
Name: 4-(Dec-1-yl)-2-oxo-1,3-oxazolidine
Molecular Structure:
Molecular Structure of 7693-82-5 (4-(Dec-1-yl)-2-oxo-1,3-oxazolidine)
Formula: C13H25NO2
Molecular Weight: 227.347
Synonyms: 4-Decyl-1,3-oxazolidin-2-one;
Density: 0.94 g/cm3
Boiling Point: 383.554 °C at 760 mmHg
Flash Point: 185.767 °C
PSA: 41.82000
LogP: 3.26560
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Synthetic route
14441-94-2

4-methoxy-1,3-oxazolidin-2-one

112-29-8

1-bromo dodecane

7693-82-5

4-decyloxazolidin-2-one

Conditions
ConditionsYield
Stage #1: 1-bromo dodecane With magnesium In tetrahydrofuran at -45℃;
Stage #2: 4-methoxy-1,3-oxazolidin-2-one With copper(I) bromide dimethylsulfide complex; boron trifluoride diethyl etherate In tetrahydrofuran at -50 - 20℃; for 4h; Product distribution / selectivity;		68%
14441-94-2

4-methoxy-1,3-oxazolidin-2-one

17049-50-2

n-decyl magnesium bromide

7693-82-5

4-decyloxazolidin-2-one

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; copper(I) cyanide; lithium chloride In tetrahydrofuran at -30℃; Product distribution / selectivity;48%
96-49-1

[1,3]-dioxolan-2-one

97028-87-0

2-amino-1-dodecanol

7693-82-5

4-decyloxazolidin-2-one

Conditions
ConditionsYield
In ethyl acetate; toluene27.33 g (96.56%)
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Specification

The 2-Oxazolidinone,4-decyl-, with the CAS registry number 7693-82-5, is also known as 4-Decyl-2-oxazolidinone. This chemical's molecular formula is C13H25NO2 and molecular weight is 227.34. What's more, its systematic name is called 4-Decyl-1,3-oxazolidin-2-one.

Physical properties about 2-Oxazolidinone,4-decyl- are: (1)ACD/LogP: 4.946; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.95; (4)ACD/LogD (pH 7.4): 4.95; (5)ACD/BCF (pH 5.5): 3381.72; (6)ACD/BCF (pH 7.4): 3381.71; (7)ACD/KOC (pH 5.5): 11688.29; (8)ACD/KOC (pH 7.4): 11688.24; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 65.309 cm3; (15)Molar Volume: 241.916 cm3; (16)Polarizability: 25.89×10-24cm3; (17)Surface Tension: 31.460 dyne/cm; (18)Density: 0.94 g/cm3; (19)Flash Point: 185.767 °C; (20)Enthalpy of Vaporization: 63.211 kJ/mol; (21)Boiling Point: 383.554 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OCC(N1)CCCCCCCCCC
(2) InChI: InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-12-11-16-13(15)14-12/h12H,2-11H2,1H3,(H,14,15)
(3) InChIKey: IUWVYVOQTFVXKL-UHFFFAOYSA-N