CAS 900161-12-8

Carbamic acid, [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(diphenylamino)carbonyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester

Description:

Carbamic acid, with the specified name and CAS number 900161-12-8, is a complex organic compound characterized by its unique structure, which includes a carbamate functional group and a naphtho-furan moiety. This compound features multiple stereocenters, indicating that it exists in specific stereoisomeric forms, which can influence its chemical behavior and biological activity. The presence of the diphenylamino group suggests potential applications in pharmaceuticals or as a dye, as such groups often enhance the electronic properties of organic molecules. The ethyl ester functionality indicates that the compound can undergo hydrolysis to release the corresponding acid, which may be relevant in various chemical reactions or biological processes. Additionally, the dodecahydro structure implies a saturated framework, contributing to the compound's stability. Overall, the intricate structure of this carbamic acid derivative suggests potential utility in medicinal chemistry, particularly in the development of novel therapeutic agents. However, specific properties such as solubility, melting point, and reactivity would require empirical data for precise characterization.

Formula: C₂₉H₃₄N₂O₅

InChI: InChI=1S/C29H34N2O5/c1-3-35-29(34)30-20-14-15-23-19(16-20)17-24-25(18(2)36-28(24)33)26(23)27(32)31(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-20,23-26H,3,14-17H2,1-2H3,(H,30,34)/t18-,19+,20-,23-,24-,25-,26+/m1/s1

InChI key: InChIKey=QIHOOQHZKUMXOB-RBNACLDASA-N

SMILES: C(N(C1=CC=CC=C1)C2=CC=CC=C2)(=O)[C@@H]3[C@]4([C@@](C[C@]5([C@]3(CC[C@@H](NC(OCC)=O)C5)[H])[H])(C(=O)O[C@@H]4C)[H])[H]

Synonyms:

• Carbamic acid, [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(diphenylamino)carbonyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester
• [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(Diphenylamino)carbonyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]carbamic acid ethyl ester
• Carbamic acid, [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(diphenylamino)carbonyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester (9CI)
• Ethyl((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-met...
• Ethyl [(1R,3aR,4aR,6R,8aR,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate
• VORAPASA intermediate 3
• ethyl((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate
• ethyl(1R,3aR,4aR,6R,8aS,9S,9aS)-9-(diphenylcarbamoyl)-1,4a-dimethyl-3-oxododecahydroaphtho[2,3-c]furan-6-ylcarbamate