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CS-W001157 4
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(R)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate

  • CAS No. 223644-10-8

  • Cat. No. CS-0079658
  • Purity≥98%
  • MDL No.MFCD15072097

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

(R)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate|CS-0079658

Structure of 223644-10-8

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General Information

  • CAS No. 223644-10-8
  • Cat. No. CS-0079658
  • Purity ≥98%
  • MDL No. MFCD15072097
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₂N₂O₂
  • Molecular Weight None
  • Synonym(s) (R)-1-Boc-3-methyl-[1,4]diazepane
  • SMILES O=C(OC(C)(C)C)N1CCCN[C@H](C)C1

Description

(R)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate features a chiral diazepane core with a bench-stable tert-butyl ester and a methyl group at the 3-position, enabling direct incorporation into complex heterocyclic scaffolds. This configuration supports stereocontrolled synthesis of bioactive nitrogen-rich compounds.

Application

(R)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate serves as a valuable chiral building block in medicinal chemistry, enabling the synthesis of saturated heterocyclic scaffolds with defined stereochemistry. The protected diamine functionality offers excellent stability and compatibility with standard coupling and reduction protocols. Its methyl substitution enhances metabolic stability and modulates physicochemical properties, making it particularly useful for constructing bioactive molecules in drug discovery programs.

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   1.6053
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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