Cas no 91240-30-1 (Ethyl 5-isopropylisoxazole-3-carboxylate)

Ethyl 5-isopropylisoxazole-3-carboxylate structure
91240-30-1 structure
Product Name:Ethyl 5-isopropylisoxazole-3-carboxylate
CAS No:91240-30-1
MF:C9H13NO3
MW:183.204422712326
CID:61486
PubChem ID:18361884
Update Time:2025-09-19

Ethyl 5-isopropylisoxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-isopropylisoxazole-3-carboxylate
    • Ethyl 5-isopropyl-3-isoxazolecarboxylate
    • ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate
    • 3-Isoxazolecarboxylic acid,5-(1-methylethyl)-,ethyl ester
    • 5-Isopropyl-3-aethoxycarbonyl-isoxazol
    • 5-isopropyl-isoxazole-3-carboxylic acid ethyl ester
    • ethyl 5-i-propyl-isoxazole-3-carboxylate
    • 3-Isoxazolecarboxylicacid, 5-isopropyl-, ethyl ester (7CI)
    • 3-Isoxazolecarboxylic acid, 5-isopropyl-, ethyl ester (7CI)
    • Ethyl 5-(1-methylethyl)-3-isoxazolecarboxylate (ACI)
    • Ethyl 5-isopropyl-1,2-oxazole-3-carboxylate
    • 91240-30-1
    • AKOS006346320
    • DB-078940
    • Ethyl 5-(propan-2-yl)-1,2-oxazole-3-carboxylate
    • DTXSID30593112
    • PVQVIEIJKPRYEI-UHFFFAOYSA-N
    • MFCD10037644
    • Ethyl5-isopropylisoxazole-3-carboxylate
    • SCHEMBL1090847
    • MDL： MFCD10037644
    • Inchi： 1S/C9H13NO3/c1-4-12-9(11)7-5-8(6(2)3)13-10-7/h5-6H,4H2,1-3H3
    • InChI Key： PVQVIEIJKPRYEI-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(C(C)C)ON=1)OCC

Computed Properties

  • Exact Mass: 183.09000
  • Monoisotopic Mass: 183.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 182
  • 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: 2.1
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.33000
  • LogP: 1.97470

Ethyl 5-isopropylisoxazole-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%

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Ethyl 5-isopropylisoxazole-3-carboxylate Production Method

Production Method 1

Reaction Conditions
Reference
Regioselective syntheses of 3-Aminomethyl-5-substituted isoxazoles: a facile and chemoselective reduction of azide to amine by sodium borohydride using 1,3-propanedithiol as a catalyst
Pei, Yazhong; et al, Tetrahedron Letters, 1993, 34(47), 7509-12

Ethyl 5-isopropylisoxazole-3-carboxylate Preparation Products

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