Cas no 22767-96-0 (benzyl 3-phenylpropanoate)

benzyl 3-phenylpropanoate structure
benzyl 3-phenylpropanoate structure
Product Name:benzyl 3-phenylpropanoate
CAS No:22767-96-0
MF:C16H16O2
MW:240.297044754028
CID:1414615
Update Time:2024-08-16

benzyl 3-phenylpropanoate Chemical and Physical Properties

Names and Identifiers

    • benzyl 3-phenylpropanoate
    • benzenepropanoic acid, phenylmethyl ester
    • Inchi: 1S/C16H16O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2
    • InChI Key: IGUMLGLEYCGKBJ-UHFFFAOYSA-N
    • SMILES: C1(CCC(OCC2=CC=CC=C2)=O)=CC=CC=C1

Computed Properties

  • Exact Mass: 240.11508

Experimental Properties

  • Density: 1.0900
  • Boiling Point: 325°C (estimate)
  • Refractive Index: 1.6290 (estimate)
  • PSA: 26.3

benzyl 3-phenylpropanoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Dichloromethane ;  3 h, rt
Reference
Studies on the Lossen-type rearrangement of N-(3-phenylpropionyloxy) phthalimide and N-tosyloxy derivatives with several nucleophiles
Sheikh, Chanmiya Md.; et al, Tetrahedron, 2010, 66(12), 2132-2140

Production Method 2

Reaction Conditions
1.1 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Dichloromethane ;  24 h, rt
1.2 Reagents: Acetic acid Solvents: Water ;  pH 7, rt
Reference
Lossen-type rearrangement products in the reaction of N-(phthalimidoyloxy)-3-phenylpropionate and - tosylate with benzyl alcohol
Takagi, Shunsuke; et al, Heterocycles, 2009, 78(6), 1433-1438

Production Method 3

Reaction Conditions
1.1 Reagents: Dicyclohexylcarbodiimide Solvents: Dichloromethane ;  3 h, 0 °C
2.1 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Dichloromethane ;  3 h, rt
Reference
Studies on the Lossen-type rearrangement of N-(3-phenylpropionyloxy) phthalimide and N-tosyloxy derivatives with several nucleophiles
Sheikh, Chanmiya Md.; et al, Tetrahedron, 2010, 66(12), 2132-2140

benzyl 3-phenylpropanoate Raw materials

benzyl 3-phenylpropanoate Preparation Products

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