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Home> Encyclopedia > Hot Product Listed 2   > 2-Oxazolidinone,4-(1-methylethyl)-5,5-diphenyl-, (4R)-
18301-58-1 structure

2-Oxazolidinone,4-(1-methylethyl)-5,5-diphenyl-, (4R)-

Iupac Name:3-bicyclo[2.2.1]heptanyl-dichloro-methylsilane
CAS No.:18301-58-1
Molecular Weight:209.185
Molecular Formula:C12H15NO (isomer)
Names and Identifiers
Synonyms

(4R)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (R)-(+)-4-ISOPROPYL-5,5-DIPHENYL-2-OXAZOLIDINONE (R)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone,99%e.e. (R)-4-Isopropyl-5,5-diphenyloxazolidin-2-one 2-Oxazolidinone,4-(1-methylethyl)-5,5-diphenyl-, (R)-

Inchi
InChI=1S/C8H14Cl2Si/c1-11(9,10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChkey
RUMWGOUWLFSDMR-UHFFFAOYSA-N
Canonical Smiles
C[Si](C1CC2CCC1C2)(Cl)Cl
Properties
Density
0.826
Vapour
0.12mmHg at 25°C
Refractive Index
1.491
Flash Point
109.6°C
Safety and Handling
Specification

The (R)-(+)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone with the CAS number 191090-32-1 is also called 2-Oxazolidinone,4-(1-methylethyl)-5,5-diphenyl-, (4R)-. The systematic name is (4R)-5,5-diphenyl-4-(propan-2-yl)-1,3-oxazolidin-2-one. Its molecular formula is C18H19NO2. This chemical belongs to the following product categories: (1)Intermediates of Sertraline;Asymmetric Synthesis; (2)Chiral Auxiliaries; (3)Oxazolidinone Derivatives.

The properties of the chemical are: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1295.08; (6)ACD/BCF (pH 7.4): 1295.02; (7)ACD/KOC (pH 5.5): 5880.03; (8)ACD/KOC (pH 7.4): 5879.77; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 81.57 cm3; (15)Molar Volume: 251.1 cm3; (16)Polarizability: 32.33×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Enthalpy of Vaporization: 73.93 kJ/mol; (19)Vapour Pressure: 3.25×10-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3OC(c1ccccc1)(c2ccccc2)[C@H](N3)C(C)C
(2)InChI: InChI=1/C18H19NO2/c1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,19,20)/t16-/m1/s1
(3)InChIKey: PHTOJBANGYSTOH-MRXNPFEDBE

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:209.185g/mol
  • Molecular Formula:C12H15NO
  • Compound Is Canonicalized:True
  • Exact Mass:208.024
  • Monoisotopic Mass:208.024
  • Complexity:170
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:3
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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