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1-Boc-azepane-4-carboxylic acid
Weight243.303 g/mol
FormulaC12H21NO4
Hydrogen Acceptors3
Hydrogen Donors1
Aromatic Rings0
Rotatable Bonds1

1-Boc-azepane-4-carboxylic acid (868284-36-0)

1-(tert-butoxycarbonyl)azepane-4-carboxylic acid  ·  868284-36-0

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Alternate Names

  • 1-(tert-butoxycarbonyl)azepane-4-carboxylic acid
  • 868284-36-0
  • SMILES
    CC(C)(C)OC(=O)N1CCCC(CC1)C(=O)O
  • InChIKey
    RZQHJTNUKFLYEA-UHFFFAOYSA-N

Estimated Properties

Boiling Point 341.66 C EPA T.E.S.T.
Boiling Point 346.79 C EPI Suite
Density 1.17 g/cm3 EPA T.E.S.T.
Flash Point 178.39 C EPA T.E.S.T.
Melting Point 124.92 C EPI Suite
Water Solubility 3348.03 mg/L EPA T.E.S.T.
Water Solubility 9456.4 mg/L EPI Suite

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Synthesis

Reactant  +  Azepane-4-carboxylic acid (Schotten-Baumann amide from acid)
Reactant  +  2-Chloro-2-methylpropane (Ester from carboxilic acid(SN2))
Synthesis of 1-Boc-azepane-4-carboxylic acid ›

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