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(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one (190595-65-4)

Identification
Name:(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
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)-;
CAS:190595-65-4
Molecular Formula: C31H25F2NO3
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
Molecular Structure: (C31H25F2NO3) 1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-[4-(phenylmethoxy) phenyl]-, (3R,4S)- 2-azet...
Properties
Flash Point: 381.255°C
Boiling Point: 706.794°C at 760 mmHg
Density:1.264
Refractive index:1.61
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

As for its market information, there are many suppliers in China, such as Ningbo Hi-Tech Biochemicals Co., Ltd. and Yancheng Henz Chemical Co., Ltd.

Flash Point: 381.255°C
Safety Data
 

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