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CAS 1135283-02-1

:

1,1-Dimethylethyl 2-(2-chloroacetyl)hexahydro-1H-1,2-diazepine-1-carboxylate

Description:
1,1-Dimethylethyl 2-(2-chloroacetyl)hexahydro-1H-1,2-diazepine-1-carboxylate, identified by its CAS number 1135283-02-1, is a chemical compound that belongs to the class of diazepines, which are characterized by a seven-membered ring containing two nitrogen atoms. This compound features a hexahydro structure, indicating it is saturated and contains a cyclic amine. The presence of a chloroacetyl group suggests it may exhibit reactivity typical of acyl halides, potentially participating in nucleophilic substitution reactions. The dimethyl group attached to the nitrogen contributes to steric hindrance, which can influence its biological activity and interaction with enzymes or receptors. Additionally, the carboxylate moiety indicates that it may have acidic properties, which could affect its solubility and stability in various solvents. Overall, this compound's unique structure may confer specific pharmacological properties, making it of interest in medicinal chemistry and drug development. However, detailed studies would be necessary to fully elucidate its characteristics and potential applications.
Formula:C12H21ClN2O3
InChI:InChI=1S/C12H21ClN2O3/c1-12(2,3)18-11(17)15-8-6-4-5-7-14(15)10(16)9-13/h4-9H2,1-3H3
InChI key:InChIKey=GTMMLNSEXIRULA-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1N(C(CCl)=O)CCCCC1
Synonyms:
  • 1H-1,2-Diazepine-1-carboxylic acid, 2-(2-chloroacetyl)hexahydro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 2-(2-chloroacetyl)hexahydro-1H-1,2-diazepine-1-carboxylate
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