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CS-W001157 4
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tert-Butyl 1,5-diazocane-1-carboxylate

  • CAS No. 223797-64-6

  • Cat. No. CS-0079686
  • Purity≥97%
  • MDL No.MFCD11616045

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 1,5-diazocane-1-carboxylate|CS-0079686

Structure of 223797-64-6

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General Information

  • CAS No. 223797-64-6
  • Cat. No. CS-0079686
  • Purity ≥97%
  • MDL No. MFCD11616045
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₂N₂O₂
  • Molecular Weight 214.30
  • Synonym(s) 1,5-Diazocine-1(2H)-carboxylic acid, hexahydro-, 1,1-diMethylethyl ester
  • SMILES O=C(OC(C)(C)C)N1CCCNCCC1

Description

tert-Butyl 1,5-diazocane-1-carboxylate delivers a rigid, nitrogen-rich scaffold ideal for constructing bioactive heterocycles. This bench-stable derivative features two amine sites flanked by a cyclohexane core, enabling selective functionalization in late-stage synthesis. The tert-butyl ester group facilitates purification and protection strategies under standard conditions.

Application

tert-Butyl 1,5-diazocane-1-carboxylate serves as a stable, bench-ready building block for the synthesis of saturated heterocyclic scaffolds. Its protected diamine functionality enables selective functionalization and facilitates downstream transformations in medicinal chemistry workflows. The tert-butoxycarbonyl (Boc) group provides excellent stability and ease of removal under mild acidic conditions, supporting orthogonal protection strategies in complex molecule assembly.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   1.6069
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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