CAS 1030377-25-3

4-(1,1-Dimethylethyl) 1-(phenylmethyl) (5R)-tetrahydro-5-methyl-1H-1,4-diazepine-1,4(5H)-dicarboxylate

Description:

4-(1,1-Dimethylethyl) 1-(phenylmethyl) (5R)-tetrahydro-5-methyl-1H-1,4-diazepine-1,4(5H)-dicarboxylate, identified by CAS number 1030377-25-3, is a chemical compound characterized by its complex structure, which includes a diazepine ring and multiple functional groups. The presence of the tetrahydro-diazepine moiety suggests potential biological activity, as diazepines are often associated with pharmacological effects. The compound features a tert-butyl group (1,1-dimethylethyl) and a phenylmethyl substituent, which may influence its solubility and reactivity. The dicarboxylate functionality indicates the presence of two carboxylic acid groups, which can participate in various chemical reactions, including esterification and acid-base reactions. This compound may exhibit properties such as moderate to high lipophilicity due to its hydrophobic substituents, potentially affecting its bioavailability and interaction with biological systems. Overall, the unique structural features of this compound suggest it may have applications in medicinal chemistry or as a synthetic intermediate in organic synthesis.

Formula: C₁₉H₂₈N₂O₄

InChI: InChI=1S/C19H28N2O4/c1-15-10-11-20(12-13-21(15)18(23)25-19(2,3)4)17(22)24-14-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3/t15-/m1/s1

InChI key: InChIKey=XLSSEJRFMLKZQO-OAHLLOKOSA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@H](C)CCN(C(OCC2=CC=CC=C2)=O)CC1

Synonyms:

• 4-(1,1-Dimethylethyl) 1-(phenylmethyl) (5R)-tetrahydro-5-methyl-1H-1,4-diazepine-1,4(5H)-dicarboxylate
• 1H-1,4-Diazepine-1,4(5H)-dicarboxylic acid, tetrahydro-5-methyl-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (5R)-
• Benzyl (R)-4-(tert-butoxycarbonyl)-5-methyl-1,4-diazepane-1-carboxylate