CymitQuimica logo

CAS 1027512-23-7

:

1-(1,1-Dimethylethyl) hexahydro-4-methyl-1H-azepine-1,4-dicarboxylate

Description:
1-(1,1-Dimethylethyl) hexahydro-4-methyl-1H-azepine-1,4-dicarboxylate is a chemical compound characterized by its unique structure, which includes a hexahydroazepine ring and two carboxylate functional groups. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, influencing its reactivity and interactions with other molecules. The presence of the dicarboxylate moiety suggests potential for forming salts or esters, which can enhance its solubility and reactivity in various chemical environments. The hexahydroazepine structure indicates that it is a saturated nitrogen-containing heterocycle, which may exhibit interesting pharmacological properties. Additionally, the compound's molecular configuration may allow for specific stereochemical interactions, making it of interest in medicinal chemistry and drug design. Its CAS number, 1027512-23-7, provides a unique identifier for regulatory and research purposes, facilitating the study of its properties, synthesis, and potential applications in various fields, including pharmaceuticals and agrochemicals.
Formula:C13H23NO4
InChI:InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-8-5-6-13(4,7-9-14)10(15)16/h5-9H2,1-4H3,(H,15,16)
InChI key:InChIKey=FUDNGUAYMRYCCT-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CCC(C(O)=O)(C)CCC1
Synonyms:
  • 1H-Azepine-1,4-dicarboxylic acid, hexahydro-4-methyl-, 1-(1,1-dimethylethyl) ester
  • 1-(tert-Butoxycarbonyl)-4-methylazepane-4-carboxylicacid
  • 1-[(tert-Butoxy)carbonyl]-4-methylazepane-4-carboxylic acid
  • 1-(1,1-Dimethylethyl) hexahydro-4-methyl-1H-azepine-1,4-dicarboxylate
  • 1-Boc-4-methylazepane-4-carboxylic acid
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 2 products.