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(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone | CAS No. 163222-32-0

(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone

Basic Information

Chemical_Structure_Of
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CAS Number

163222-32-0

Molecular Formula

C31H27F2NO3

Molecular Weight

499.56 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

706.462°C at 760 mmHg

SMILES

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C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(C(=O)N3C4=CC=C(C=C4)F)CCC(C5=CC=C(C=C5)F)O

InChI

InChI=1S/C31H27F2NO3/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/h1-17,28-30,35H,18-20H2/t28-,29+,30-/m1/s1

InChIKey

KEYVFYMGVLFXQK-DYIKCSJPSA-N

LogP

6.7617000000000065

Topological Polar Surface Area

49.77 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

707

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 2-Azetidinone,1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)-
  • 163222-32-0
  • C73140
  • C31H27F2NO3
  • 1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-(3R,4S)-2-azetidinone
  • 4'-O-Benzyloxy Ezetimibe
  • (3R,4S)-4-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
  • KEYVFYMGVLFXQK-DYIKCSJPSA-N
  • (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
  • CS-0140352
  • (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3(s)-hydroxypropyl]-4-(4-benzyloxyphenyl)-2-azetidinone
  • MFCD00937870
  • CHEMBL173660
  • 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-,(3R,4S)- 2-Azetidinone
  • 2-Azetidinone,1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-,(3R,4S)-
  • AKOS024464695
  • 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)- 2-Azetidinone
  • AC-8741
  • DS-9698
  • (3R,4S)-1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-2-AZETIDINONE
  • 1-(4-fluorophenyl)-3(R)-(3(S)-(4-fluorophenyl)-3-hydroxypropyl)-4(S)-(4-benzyloxyphenyl)-2-azetidinone
  • AMY19257
  • (3R,4S)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
  • 2-AZETIDINONE, 1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-, (3R,4S)-
  • SCHEMBL2046587
  • (3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one
  • 4'-O-Benzyl Ezetimibe
  • 4(S)-(4-Benzyloxyphenyl)-1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-hydroxypropyl]-azetidine-2-one
  • DTXSID101107850
  • (3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-2-azetidinone
  • 1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-, (3R,4S)- 2-AZETIDINONE

MDL Number

MFCD00937870

FAQ

What are the physical and chemical properties of (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone (CAS: 163222-32-0)?
(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone is a white to off-white crystalline solid with a molecular weight of approximately 563.5 g/mol. It has limited water solubility and is more soluble in organic solvents like methanol and DMSO. This compound shows moderate reactivity towards nucleophiles and can undergo ring-opening reactions under certain conditions. It is stable under normal storage conditions but should be stored in a cool, dark place to prevent degradation.

How is (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone (CAS: 163222-32-0) typically synthesized?
(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone is typically synthesized via multistep organic synthesis involving benzyl protection, fluorene introduction, and azetidinone formation. Commonly used catalysts include palladium-based catalysts for cross-coupling reactions. The overall yield is typically around 60-70%, with high selectivity for the desired stereochemistry.

What industries use (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone (CAS: 163222-32-0)?
(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone is used in the pharmaceutical industry for the development of novel drug candidates due to its specific chemical structure. It may also have applications in the polymer industry, where it can serve as a precursor for certain polymerization reactions. Additionally, it could find use in sensor technology and semiconductor manufacturing, though its use in these areas is less common.

What precautions should be taken when handling (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone (CAS: 163222-32-0)?
When handling (3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handling should be done in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local waste management regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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Wuhan HuJiu Medicine Technology Co., Ltd.

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(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone — Shanghai Yuyeh Biotechnology Co., Ltd.

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(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone — ShenZhenZhenJiangShengWuJiShu Co Ltd

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(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

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(3R,4S)-4-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone — HePeng （ ShangHai ） Biotechnology Co Ltd

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