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tert-butyl azepan-4-ylcarbamate
Weight214.309 g/mol
FormulaC11H22N2O2
Hydrogen Acceptors3
Hydrogen Donors2
Aromatic Rings0
Rotatable Bonds1

tert-butyl azepan-4-ylcarbamate (454451-28-6)

tert-butyl 4-azepanylcarbamate  ·  454451-28-6

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Alternate Names

  • tert-butyl 4-azepanylcarbamate
  • 454451-28-6
  • SMILES
    CC(C)(C)OC(=O)NC1CCCNCC1
  • InChIKey
    MIYUNZAWHSSBPU-UHFFFAOYSA-N

Estimated Properties

Boiling Point 288.42 C EPA T.E.S.T.
Boiling Point 296.79 C EPI Suite
Density 1.03 g/cm3 EPA T.E.S.T.
Flash Point 146.72 C EPA T.E.S.T.
Melting Point 81.44 C EPI Suite
Water Solubility 2125.22 mg/L EPA T.E.S.T.
Water Solubility 111410 mg/L EPI Suite

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Synthesis

Azepan-4-amine  +  Di-tert-butyl dicarbonate (Amine protection with Boc)
Reactant  +  Azepan-4-amine (Schotten-Baumann amide from acyl chloride)
tert-Butyl carbamate  +  Reactant (Alkylation of primary amines)
Reactant  +  2-Chloro-2-methylpropane (Ester from carboxilic acid(SN2))
Synthesis of tert-butyl azepan-4-ylcarbamate ›

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