Cas no 1044507-64-3 (1-Azetidinecarboxylic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester)

1-Azetidinecarboxylic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester structure
1044507-64-3 structure
Product Name:1-Azetidinecarboxylic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester
CAS No:1044507-64-3
MF:C14H18FNO2
MW:251.296627521515
CID:5575126
Update Time:2023-08-04

1-Azetidinecarboxylic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1-Azetidinecarboxylic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester
    • 1,1-Dimethylethyl 3-(4-fluorophenyl)-1-azetidinecarboxylate
    • Inchi: 1S/C14H18FNO2/c1-14(2,3)18-13(17)16-8-11(9-16)10-4-6-12(15)7-5-10/h4-7,11H,8-9H2,1-3H3
    • InChI Key: MYMLNPJQFGIRRA-UHFFFAOYSA-N
    • SMILES: N1(C(OC(C)(C)C)=O)CC(C2=CC=C(F)C=C2)C1

Experimental Properties

  • Density: 1.154±0.06 g/cm3(Predicted)
  • Boiling Point: 324.4±42.0 °C(Predicted)
  • pka: -1.96±0.40(Predicted)

1-Azetidinecarboxylic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester Production Method

Production Method 1

Reaction Conditions
1.1R:(Me3Si)2NH ?Na, C:13462-90-3, C:5456-63-3, S:Me2CHOH, S:THF, 30 min, 80°C
Reference
Microwave-Assisted Suzuki-Miyaura Cross Coupling using Nickel as Catalyst to Rapidly Access to 3-Arylazetidine
By Dequirez, Geoffroy et al, ChemistrySelect, 2017, 2(28), 8841-8846

Production Method 2

Reaction Conditions
1.1R:Cs2CO3, C:Pd acetylacetonate, C:657408-07-6, S:p-Cymene, S:H2O, 24 h, 100°C
Reference
Synthesis of 2-Aryl Azetidines through Pd-Catalyzed Migration/Coupling of 3-Iodoazetidines and Aryl Boronic Acids
By Yang, Han et al, Organic Letters, 2022, 24(31), 5731-5735

1-Azetidinecarboxylic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester Raw materials

1-Azetidinecarboxylic acid, 3-(4-fluorophenyl)-, 1,1-dimethylethyl ester Preparation Products

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