Cas no 425609-97-8 (methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate)

Methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate is a heterocyclic ester compound featuring a 1,2-oxazole (isoxazole) core substituted with a 4-methoxyphenyl group at the 5-position and a methoxycarbonyl group at the 3-position. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceutical and agrochemical research. The electron-rich 4-methoxyphenyl moiety enhances reactivity in electrophilic substitution reactions, while the ester group allows further functionalization via hydrolysis or transesterification. Its well-defined crystalline form ensures consistent purity, making it suitable for precise synthetic workflows. The compound’s stability under standard conditions facilitates handling and storage, supporting its use in multi-step organic synthesis.
methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate structure
425609-97-8 structure
Product Name:methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
CAS No:425609-97-8
MF:C12H11NO4
MW:233.220043420792
MDL:MFCD02159744
CID:326817
PubChem ID:752781
Update Time:2025-05-28

methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-(4-methoxyphenyl)isoxazole-3-carboxylate
    • 3-(4-METHOXY-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER
    • 3-Isoxazolecarboxylicacid, 5-(4-methoxyphenyl)-, methyl ester
    • Methyl 3-(4-Methoxyphenyl)-1,2-Oxazole-5-Carboxylate
    • METHYL 3-(4-METHOXYPHENYL)ISOXAZOLE-5-CARBOXYLATE
    • methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
    • F87964
    • LSTUYMFZYOAFGT-UHFFFAOYSA-N
    • Methyl 5-(4-methoxyphenyl)-3-isoxazolecarboxylate
    • METHYL5-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXYLATE
    • 425609-97-8
    • CHEMBL1523811
    • HMS2755B22
    • AKOS000570671
    • MFCD02159744
    • 4-aminopyridin-3-ylboronic?acid
    • Methyl 5-(4-methoxyphenyl)isoxazole-3-carboxylate, AldrichCPR
    • SY268046
    • SCHEMBL20507141
    • EN300-236253
    • MLS000707386
    • DTXSID701231988
    • Isoxazole-3-carboxylic acid, 5-(4-methoxyphenyl)-, methyl ester
    • F2135-0555
    • CCG-114189
    • SMR000288851
    • STK775641
    • MDL： MFCD02159744
    • Inchi： 1S/C12H11NO4/c1-15-9-5-3-8(4-6-9)11-7-10(13-17-11)12(14)16-2/h3-7H,1-2H3
    • InChI Key： LSTUYMFZYOAFGT-UHFFFAOYSA-N
    • SMILES： O1C(=CC(C(=O)OC)=N1)C1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 233.06900
  • Monoisotopic Mass: 233.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 263
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.2
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 403.9±40.0 °C at 760 mmHg
  • Flash Point: 198.1±27.3 °C
  • Refractive Index: 1.531
  • PSA: 61.56000
  • LogP: 2.13680
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate Security Information

methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

methyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate Pricemore >>

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