Cas no 204589-82-2 ((3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-4-(benzyloxy)phenyl-3-azetidinepropanoic Acid)

(3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-[4-(benzyloxy)phenyl]-3-azetidinepropanoic acid is a chiral azetidine derivative with potential applications in pharmaceutical and synthetic chemistry. Its stereospecific (3R,4S) configuration ensures precise molecular interactions, making it valuable for enantioselective synthesis. The presence of a fluorophenyl group enhances metabolic stability, while the benzyloxy-substituted phenyl moiety offers versatility for further functionalization. The azetidine core contributes to conformational rigidity, improving binding affinity in target systems. This compound is particularly useful as an intermediate in the development of bioactive molecules, including enzyme inhibitors or receptor modulators. Its structural features, such as the carboxylic acid group, facilitate derivatization for tailored applications in medicinal chemistry research.
(3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-4-(benzyloxy)phenyl-3-azetidinepropanoic Acid structure
204589-82-2 structure
Product Name:(3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-4-(benzyloxy)phenyl-3-azetidinepropanoic Acid
CAS No:204589-82-2
MF:C25H22FNO4
MW:419.444890499115
MDL:MFCD13194800
CID:66692
PubChem ID:10669746
Update Time:2025-06-23

(3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-4-(benzyloxy)phenyl-3-azetidinepropanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-((2S,3R)-2-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoic acid
    • (3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-[4-(benzyloxy)phenyl]-3-azetidinepropanoic acid
    • 3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoic acid
    • (3R,4S)-1-(4-fluorophenyl)-3-[3-(hydroxy)-3-oxopropyl]-4-(4-benzyloxyphenyl)-2-azetidinone
    • 3-((3R,4S)-1-(4-fluorophenyl)-2-oxo-4-(4-(benzyloxy)phenyl)azetidin-3-yl)propionic acid
    • 3-{(2S,3R)-2-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-4-oxoazetidin-3-yl}propionic acid
    • Ezetimibe Intermediate-I
    • trans-3(R)-3-(2-oxo-4(S)-(4-benzyloxyphenyl)-1-(4-fluorophen
    • 3-[(2S,3R)-2-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]propanoic acid
    • AK102877
    • Fmoc-L-Dab(Alloc)-OH
    • YOJPXOLPAHAPAQ-ISKFKSNPSA-N
    • BCP05186
    • AS-74358
    • 204589-82-2
    • DTXSID40443270
    • AKOS015896294
    • 3-((2S,3R)-2-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoicacid
    • D82474
    • AMY28776
    • 3-Azetidinepropanoic acid,1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-,(3R,4S)-
    • 3-[(3R, 4S)-1-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)azetidin-3-yl]propanoic acid
    • SCHEMBL4312245
    • CS-0186690
    • AC-30118
    • 3-Azetidinepropanoic acid, 1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)-
    • (3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-[4-(benzyloxy)phenyl]-3-azetidinepropanoic Acid; 3-Azetidinepropanoic acid, 1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)- (ACI); (3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-3-azetidinepropanoic acid (ACI); 3-Azetidinepropanoic acid, 1-(4-fluorophenyl)-2-oxo-4-[4-(pheny
    • (3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-4-(benzyloxy)phenyl-3-azetidinepropanoic Acid
    • MDL： MFCD13194800
    • Inchi： 1S/C25H22FNO4/c26-19-8-10-20(11-9-19)27-24(22(25(27)30)14-15-23(28)29)18-6-12-21(13-7-18)31-16-17-4-2-1-3-5-17/h1-13,22,24H,14-16H2,(H,28,29)/t22-,24-/m1/s1
    • InChI Key： YOJPXOLPAHAPAQ-ISKFKSNPSA-N
    • SMILES： FC1C=CC(=CC=1)N1C([C@H](CCC(=O)O)[C@H]1C1C=CC(=CC=1)OCC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 419.15300
  • Monoisotopic Mass: 419.15328635g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 607
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.8
  • XLogP3: 4

Experimental Properties

  • Density: 1.292
  • Boiling Point: 687.445°C at 760 mmHg
  • Flash Point: 369.553°C
  • Refractive Index: 1.614
  • PSA: 66.84000
  • LogP: 5.03860

(3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-4-(benzyloxy)phenyl-3-azetidinepropanoic Acid Security Information

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(3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-4-(benzyloxy)phenyl-3-azetidinepropanoic Acid Production Method

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