Cas no 866848-94-4 (6-Bromo-indan-1-one 1,2-ethanediol Ketal)

6-Bromo-indan-1-one 1,2-ethanediol Ketal structure
866848-94-4 structure
Product Name:6-Bromo-indan-1-one 1,2-ethanediol Ketal
CAS No:866848-94-4
MF:C11H11BrO2
MW:255.107842683792
MDL:MFCD08706458
CID:718905
Update Time:2023-12-21

6-Bromo-indan-1-one 1,2-ethanediol Ketal Chemical and Physical Properties

Names and Identifiers

    • Spiro[1,3-dioxolane-2,1'-[1H]indene],6'-bromo-2',3'-dihydro-
    • 6-Bromo-1,1-(ethylenedioxo)-indane
    • 6-Bromo-indan-1-one 1,2-ethanediol ketal
    • (6-BROMO-2,3-DIHYDRO-1H-INDEN-1-YL)METHYLAMINE
    • (6-BROMO-INDAN-1-YL)-METHYL-AMINE
    • 6-BROMO-2,3-DIHYDRO-N-METHYL-1H-INDEN-1-AMINE
    • 6'-Bromo-2',3'-dihydrospiro[[1,3]dioxolane-2,1'-indene]
    • 6′-Bromo-2′,3′-dihydrospiro[1,3-dioxolane-2,1′-[1H]indene] (ACI)
    • 6-Bromo-indan-1-one 1,2-ethanediol Ketal
    • MDL： MFCD08706458
    • Inchi： 1S/C11H11BrO2/c12-9-2-1-8-3-4-11(10(8)7-9)13-5-6-14-11/h1-2,7H,3-6H2
    • InChI Key： HGFACNZKELSKHM-UHFFFAOYSA-N
    • SMILES： BrC1C=C2C3(OCCO3)CCC2=CC=1

Computed Properties

  • Exact Mass: 253.99400
  • Monoisotopic Mass: 253.994
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 225
  • 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
  • Topological Polar Surface Area: 18.5A^2

Experimental Properties

  • PSA: 18.46000
  • LogP: 2.59490

6-Bromo-indan-1-one 1,2-ethanediol Ketal Customs Data

  • HS CODE：2932999099
  • Customs Data：

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. 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:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-Bromo-indan-1-one 1,2-ethanediol Ketal Pricemore >>

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6-Bromo-indan-1-one 1,2-ethanediol Ketal Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: p-Toluenesulfonic acid Solvents: Benzene ;  48 h, rt → 115 °C
1.2 Reagents: Sodium bicarbonate Solvents: Ethyl acetate ,  Water ;  neutralized
Reference
Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition
Melillo, Bruno; et al, ACS Medicinal Chemistry Letters, 2016, 7(3), 330-334

6-Bromo-indan-1-one 1,2-ethanediol Ketal Raw materials

6-Bromo-indan-1-one 1,2-ethanediol Ketal Preparation Products

6-Bromo-indan-1-one 1,2-ethanediol Ketal Related Literature

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