Cas no 885273-58-5 (3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-ylmethanamine)

3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-ylmethanamine structure
885273-58-5 structure
Product Name:3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-ylmethanamine
CAS No:885273-58-5
MF:C11H10N2O3
MW:218.20870256424
MDL:MFCD06738500
CID:711036
Update Time:2023-11-28

3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-ylmethanamine Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolemethanamine,3-(1,3-benzodioxol-5-yl)-
    • (3-BENZO[1,3]DIOXOL-5-YL-ISOXAZOL-5-YL)METHYLAMINE,
    • [3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanamine
    • C-(3-BENZO[1,3]DIOXOL-5-YL-ISOXAZOL-5-YL)-METHYLAMINE
    • (3-(BENZO[D][1,3]DIOXOL-5-YL)ISOXAZOL-5-YL)METHANAMINE
    • 5-Isoxazolemethanamine,3-(1,3-benzodioxol-5-yl)
    • 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanamine (ACI)
    • [3-(2H-1,3-Benzodioxol-5-yl)-1,2-oxazol-5-yl]methanamine
    • 3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-ylmethanamine
    • MDL： MFCD06738500
    • Inchi： 1S/C11H10N2O3/c12-5-8-4-9(13-16-8)7-1-2-10-11(3-7)15-6-14-10/h1-4H,5-6,12H2
    • InChI Key： PMQSXFKUYPGQGN-UHFFFAOYSA-N
    • SMILES： N1=C(C2C=C3C(OCO3)=CC=2)C=C(CN)O1

Computed Properties

  • Exact Mass: 218.06900
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 251
  • 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: 0.7

Experimental Properties

  • PSA: 70.51000
  • LogP: 2.22930

3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-ylmethanamine 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%

3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-ylmethanamine Pricemore >>

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3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-ylmethanamine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triphenylphosphine Solvents: Tetrahydrofuran ;  overnight, rt
1.2 Reagents: Sodium carbonate Solvents: Water ;  rt
Reference
Synthesis and biological evaluation of isoxazolyl-sulfonamides: A non-cytotoxic scaffold active against Trypanosoma cruzi, Leishmania amazonensis and Herpes Simplex Virus
da Rosa, Rafael ; Zimmermann, Lara Almida; de Moraes, Milene Hoehr; Schneider, Naira Fernanda Zanchett; Schappo, Alice Duarte; et al, Bioorganic & Medicinal Chemistry Letters, 2018, 28(20), 3381-3384

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