Cas no 87227-41-6 (2-(4-Bromobutyl)-1,3-dioxolane)

2-(4-Bromobutyl)-1,3-dioxolane structure
87227-41-6 structure
Product Name:2-(4-Bromobutyl)-1,3-dioxolane
CAS No:87227-41-6
MF:C7H13BrO2
MW:209.080921888351
MDL:MFCD02093454
CID:708750
PubChem ID:87564996
Update Time:2024-10-26

2-(4-Bromobutyl)-1,3-dioxolane Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Bromobutyl)-1,3-dioxolane
    • 1,3-Dioxolane,2-(4-bromobutyl)-
    • 5-Bromovaleraldehyde Ethylene Acetal
    • 2-(4-Bromo-butyl)-[1,3]dioxolane
    • UQTZEBQZCBQLAN-UHFFFAOYSA-N
    • 1141AJ
    • 2-(4-Bromo-butyl)-[1,3dioxolane
    • FCH1320582
    • OR52318
    • AK139242
    • AX8062059
    • ST24039404
    • 2-(4-Bromobutyl)-1,3-dioxolane, AldrichCPR
    • 2-(4-Bromobutyl)-1,3-dioxolane (ACI)
    • 2-(4′-Bromobutyl)-1,3-dioxolane
    • MFCD02093454
    • SB39241
    • AKOS015840994
    • AS-60068
    • DB-098113
    • 87227-41-6
    • DTXSID40549241
    • SY052815
    • CS-D0360
    • B2128
    • SCHEMBL1061060
    • MDL: MFCD02093454
    • Inchi: 1S/C7H13BrO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6H2
    • InChI Key: UQTZEBQZCBQLAN-UHFFFAOYSA-N
    • SMILES: BrCCCCC1OCCO1

Computed Properties

  • Exact Mass: 208.01000
  • Monoisotopic Mass: 208.00989g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 81.7
  • 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: 1.7
  • Topological Polar Surface Area: 18.5

Experimental Properties

  • Color/Form: Liquid
  • Density: 1.38
  • Refractive Index: 1.4780-1.4820
  • PSA: 18.46000
  • LogP: 1.92450
  • Solubility: Not determined

2-(4-Bromobutyl)-1,3-dioxolane Security Information

2-(4-Bromobutyl)-1,3-dioxolane 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%

2-(4-Bromobutyl)-1,3-dioxolane Pricemore >>

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2-(4-Bromobutyl)-1,3-dioxolane Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen bromide Solvents: Toluene ;  reflux
1.2 Reagents: Dimethyl sulfoxide Solvents: Dichloromethane ;  10 min, -78 °C; 30 min, -78 °C
1.3 Solvents: Dichloromethane ;  10 min, -78 °C; 2 h, -78 °C
1.4 Reagents: Triethylamine ;  -78 °C → rt; 1.5 h, rt
1.5 Reagents: p-Toluenesulfonic acid Solvents: Toluene ;  reflux
Reference
Synthesis of the C5-C30 fragment of cyclodidemniserinol trisulfate via I2-mediated deprotection and ring closure tandem reaction
Liu, Jian-Hua; et al, Tetrahedron, 2010, 66(6), 1267-1273

2-(4-Bromobutyl)-1,3-dioxolane Raw materials

2-(4-Bromobutyl)-1,3-dioxolane Preparation Products

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