Cas no 1343697-77-7 (4-Carboxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester)

4-Carboxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester is a versatile intermediate in organic synthesis, particularly valuable for the preparation of functionalized diazepane derivatives. The tert-butyl ester group provides stability under a range of reaction conditions, while the carboxymethyl moiety offers a reactive handle for further derivatization. This compound is useful in medicinal chemistry and peptide mimetics due to its rigid diazepane scaffold, which can enhance conformational control in target molecules. Its balanced reactivity and protective group strategy make it a practical choice for multi-step synthetic routes. The product is typically handled under standard laboratory conditions, ensuring consistent performance in complex transformations.
4-Carboxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester structure
1343697-77-7 structure
Product Name:4-Carboxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester
CAS No:1343697-77-7
MF:C12H22N2O4
MW:258.314083576202
CID:2162654
Update Time:2025-06-08

4-Carboxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Carboxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester
    • 2-(4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl)acetic acid
    • AM91983
    • Inchi: 1S/C12H22N2O4/c1-12(2,3)18-11(17)14-6-4-5-13(7-8-14)9-10(15)16/h4-9H2,1-3H3,(H,15,16)
    • InChI Key: RNHYMDLOHYODKD-UHFFFAOYSA-N
    • SMILES: O(C(N1CCN(CC(=O)O)CCC1)=O)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 312
  • Topological Polar Surface Area: 70.1

4-Carboxymethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester Pricemore >>

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