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2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine

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Name

2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine

EINECS N/A
CAS No. 128249-70-7 Density 1.286 g/cm3
PSA 56.07000 LogP 2.98900
Solubility Insoluble in water Melting Point 171-175 °C
Formula C23H19N3O2 Boiling Point 600.4 °C at 760 mmHg
Molecular Weight 369.423 Flash Point 316.9 °C
Transport Information N/A Appearance White needles
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 128249-70-7 (2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine) Hazard Symbols IrritantXi
Synonyms

Pyridine,2,6-bis(4,5-dihydro-4-phenyl-2-oxazolyl)-, [R-(R*,R*)]-;(R,R)-2,6-Bis(4'-phenyloxazolin-2'-yl)pyridine;2,6-Bis[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]pyridine;

Article Data 7

2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine Specification

The IUPAC name of 2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine is (4R)-4-phenyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole. With the CAS registry number 128249-70-7, it is also named as pyridine, 2,6-bis[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-. The product's categories are asymmetric synthesis and synthetic organic chemistry. It is white needles which is insoluble in water. And this chemical must be stored in refrigerator and avoid direct sunshine. The price of this product changes with the market. It can be used as pharmaceutical intermediates.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 238.39; (6)ACD/BCF (pH 7.4): 239.26; (7)ACD/KOC (pH 5.5): 1749.09; (8)ACD/KOC (pH 7.4): 1755.46; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 107.74 cm3; (14)Molar Volume: 287.2 cm3; (15)Polarizability: 42.71×10-24 cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Enthalpy of Vaporization: 86.08 kJ/mol; (18)Vapour Pressure: 9.72E-14 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Exact Mass: 369.147727; (21)MonoIsotopic Mass: 369.147727; (22)Topological Polar Surface Area: 56.1; (23)Heavy Atom Count: 28.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: N\1=C(\OC[C@@H]/1c2ccccc2)c5nc(C/4=N/[C@@H](c3ccccc3)CO\4)ccc5;
2. InChI: InChI=1/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1.

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