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  • (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
Name:(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
CAS No:190595-65-4

PRODUCT DESCRIPTION

【Name】
(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
【CAS Registry number】
190595-65-4
【Synonyms】
1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-[4-(phenylmethoxy) phenyl]-, (3R,4S)- 2-azetidinone
2-Azetidinone, 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)-
【Molecular Formula】
C31H25F2NO3 (Products with the same molecular formula)
【Molecular Weight】
497.53
【Inchi】
InChI=1/C31H25F2NO3/c32-24-10-6-22(7-11-24)29(35)19-18-28-30(34(31(28)36)26-14-12-25(33)13-15-26)23-8-16-27(17-9-23)37-20-21-4-2-1-3-5-21/h1-17,28,30H,18-20H2/t28-,30-/m1/s1
【MOL File】
190595-65-4.mol

Chemical and Physical Properties

【Density】
1.264
【Boiling Point】
706.794°C at 760 mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.61
【Flash Point】
381.255°C

Safety and Handling

【Specification】

The (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one , with the CAS register number 190595-65-4, has other names as E6:synthesis of trans-1-(4-fluorophenyl)-3-[3-oxo-3-(4-fluorophenyl)propyl .

The physical properties of this kind of chemical are as the following: (1)ACD/BCF (pH 5.5):  25455  ; (2)ACD/BCF (pH 7.4):  25455  ; (3)ACD/KOC (pH 5.5):  49573  ; (4)ACD/KOC (pH 7.4):  49573  ; (5)#H bond acceptors:  4  ; (6)#Freely Rotating Bonds:  9  ; (7)Polar Surface Area:  46.61  ; (8)Index of Refraction:  1.61  ; (9)Molar Refractivity:  136.5 cm3  ; (10)Molar Volume:  393.523 cm ; (11)Polarizability:  54.113×10-24 cm ; (12)Surface Tension:  49.155 dyne/cm  ; (13)Density:  1.264 g/cm3  ; (14)Flash Point:  381.255 °C  ; (15)Enthalpy of Vaporization:  103.394 kJ/mol  ; (16)Boiling Point:  706.794 °C at 760 mmHg.

This is a kind of white crystal and it is widely used in the pharmaceutic intermediates. And  its product category are various, for example, the ezetimibe intermediates.

In addition, you could refer to the following data to get the molecular structure:
SMILES:c1ccc(cc1)COc2ccc(cc2)C3C(C(=O)N3c4ccc(cc4)F)CCC(=O)c5ccc(cc5)F
InChI:InChI=1/C31H25F2NO3/c32-24-10-6-22(7-11-24)29(35)19-18-28-30(34(31(28)36)26-14-12-25(33)13-15-26)23-8-16-27(17-9-23)37-20-21-4-2-1-3-5-21/h1-17,28,30H,18-20H2/t28-,30-/m1/s1  
InChIKey:BVYNXBNCXPJQCW-PQHLKRTFBD

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