CAS 109010-61-9

1H-1-Benzazepine-1-acetic acid,3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-

Description:

1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-, is a complex organic compound characterized by its multi-cyclic structure, which includes a benzazepine core. This compound features a tetrahydro-2-oxo group, indicating the presence of a carbonyl functionality within a saturated ring system. The ethoxycarbonyl and phenylpropyl substituents contribute to its lipophilicity and potential biological activity. The presence of a dimethylethyl ester group suggests that it may exhibit specific reactivity or solubility properties, making it of interest in medicinal chemistry. The stereochemistry indicated by the (1S) and (3S) designations implies that the compound has chiral centers, which can influence its pharmacological profile and interactions with biological targets. Overall, this compound may possess unique properties that could be explored for therapeutic applications, although specific biological activity and safety profiles would require further investigation.

Formula: C₂₈H₃₆N₂O₅

InChI: InChI=1S/C28H36N2O5/c1-5-34-27(33)23(17-15-20-11-7-6-8-12-20)29-22-18-16-21-13-9-10-14-24(21)30(26(22)32)19-25(31)35-28(2,3)4/h6-14,22-23,29H,5,15-19H2,1-4H3/t22-,23-/m0/s1

InChI key: InChIKey=QNLLWVSHZXSUNF-GOTSBHOMSA-N

SMILES: C(C(OC(C)(C)C)=O)N1C=2C(CC[C@H](N[C@@H](CCC3=CC=CC=C3)C(OCC)=O)C1=O)=CC=CC2

Synonyms:

• 1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-
• 1H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, [S-(R*,R*)]-
• 1,1-Dimethylethyl (3S)-3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetate

Benazepril tert-Butyl Ester

CAS: 109010-61-9

Color and Shape: Neat

Ref: 86-MM1229.12

Benazepril tert-Butyl Ester

Controlled Product

CAS: 109010-61-9

Applications Benazepril tert-Butyl Ester is a useful synthetic intermediate in the synthesis of Benazepril Hydrochloride (B119750); a potent angiotensin converting enzyme (ACE) inhibitor and antihypertensive.
References Kafssi, H., et al.: Huaxue Shiji, 29, 371 (2007); Chang, C.Y., et al.: Tetrahedron-Assymetr., 14, 2239 (2003); Schaller, M.D., et al.: Eur. J. Clin. Pharmacol., 28, 267 (1985); Colfer, H.T., et al.: Am. J. Cardiol., 70, 354 (1992)

Formula: C₂₈H₃₆N₂O₅

Color and Shape: Neat

Molecular weight: 480.6

Ref: TR-B119850

Benazepril Tert-Butyl Ester

CAS: 109010-61-9

Formula: C₂₈H₃₆N₂O₅

Molecular weight: 480.61

Ref: ST-EA-CP-B6016