Cas no 70170-23-9 (5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde)

5-Methyl-2-phenyl-1,3-oxazole-4-carbaldehyde is a heterocyclic aldehyde featuring an oxazole core substituted with a phenyl group at the 2-position and a formyl group at the 4-position. This compound is of interest in organic synthesis due to its reactive aldehyde functionality, which facilitates further derivatization, such as condensation or nucleophilic addition reactions. The oxazole scaffold is valuable in medicinal chemistry and materials science, often serving as a building block for bioactive molecules or functional materials. Its structural rigidity and electronic properties make it suitable for applications in coordination chemistry and as a precursor for more complex heterocyclic systems. The product is typically handled under standard laboratory conditions, requiring protection from moisture and light for optimal stability.
5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde structure
70170-23-9 structure
Product Name:5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde
CAS No:70170-23-9
MF:C11H9NO2
MW:187.194662809372
MDL:MFCD08435848
CID:561972
PubChem ID:12471041
Update Time:2025-10-05

5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxaldehyde,5-methyl-2-phenyl-
    • 5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde
    • 2-Phenyl-5-methyl-4-formyl-oxazol
    • 5-Methyl-2-phenyl-1,3-oxazole-4-carboxaldehyde
    • 5-Methyl-2-phenyl-oxazol-4-carbaldehyd
    • 5-methyl-2-phenyloxazol-4-carbaldehyde
    • 5-Methyl-2-phenyloxazole-4-carbaldehyde
    • 5-methyl-2-phenyloxazole-4-carboxaldehyde
    • SCHEMBL5111872
    • MS-22210
    • 70170-23-9
    • JEXONSMPSXTJFF-UHFFFAOYSA-N
    • MFCD08435848
    • DTXSID00499551
    • EN300-6526668
    • J-517768
    • AKOS006345491
    • 5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde, AldrichCPR
    • CS-0256805
    • Z1201624560
    • FT-0745987
    • tert-Butyl2-(ethylamino)ethylcarbamate
    • G32118
    • DB-010784
    • MDL: MFCD08435848
    • Inchi: 1S/C11H9NO2/c1-8-10(7-13)12-11(14-8)9-5-3-2-4-6-9/h2-7H,1H3
    • InChI Key: JEXONSMPSXTJFF-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C=O)N=C1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 187.06300
  • Monoisotopic Mass: 187.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 202
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.18
  • Melting Point: 87 °C
  • Boiling Point: 341.173°C at 760 mmHg
  • Flash Point: 160.136°C
  • Refractive Index: 1.58
  • PSA: 43.10000
  • LogP: 2.46250

5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde Security Information

  • Hazard Category Code: 22-36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xn

5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde Pricemore >>

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