Chinese name: Exemestane
English name :Exemestane
CAS number :107868-30-4
Molecular formula :C20H24O2
Molecular weight :296.4
EINECS number :643-090-2
Melting point :155.13°C
Boiling point :453.7±45.0 °C(Predicted)
Density :1.13± 0.1g /cm3(Predicted)
Storage conditions :2-8°C
Solubility: dimethyl sulfoxide: ≥20mg/mL
Form: Powder
Color: White to almost white
optical activity :[α]/D +250 to +300°, c = 1 in methanol
InChI: InChI = 1 s/C20H24O2 / c1-12-10-14-12-10-14-18 (22) 20 (15, 3) 9-7-16 (14), 19 (2), 9-7-16 (21) 11-17 (12) 19 / h6, 8,11,14-16 h, 1, 4-5,7,9-1 0 h2, 2-3 h3 / t14 -, 15 -, 16 -, 19 + 20 - / m0 / s1
InChIKey:BFYIZQONLCFLEV-DAELLWKTSA-N
SMILES:C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2=C
Use: Exemestane is a steroid aromatase inactivator, its structure is similar to the natural substrate of aromatase androstenedione, is the false substrate of aromatase
Synthesis: 6-methylene-androstene-4-ene-3, 17-dione (2) was synthesized from androstene-4-ene-3, 17-dione (3) by condensation with triethyl orthoformate, N-methylaniline and 40% formaldehyde solution, and then 1 was prepared by oxidation with 2, 3-dichloro-5,6 chemicalbook-dicyanoquinone (DDQ). Adding a certain amount of weak acid in oxidative dehydrogenation can shorten the reaction time from 15h to 8h, and the yield can be increased from 47% to 62%. The reaction conditions were mild, the separation was simple and the total yield was 45%.
China
