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Exemestane

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Exemestane

EINECS
CAS No. 107868-30-4 Density 1.13 g/cm3
Solubility Melting Point 155.13 ºC
Formula C20H24O2 Boiling Point 453.7 ºC at 760 mmHg
Molecular Weight 296.41 Flash Point 169 ºC
Transport Information Appearance white to light yellow crystal powder
Safety Risk Codes
Molecular Structure Molecular Structure of 107868-30-4 (6-Methyleneandrosta-1,4-diene-3,17-dione) Hazard Symbols
Synonyms

Exemestane [USAN:INN:BAN];Aromasil;Aromasin;FCE 24304;Exemestane Tablets;Androsta-1,4-diene-3,17-dione, 6-methylene-;Exemestano;Exemestano [INN-Spanish];Exemestanum;Exemestanum [INN-Latin];HSDB 7463;Exemestane;

 

Exemestane Specification

The Exemestane, with the CAS registry number 107868-30-4, is also known as 6-Methylenandrosta-1,4-diene-3,17-dione; 10,13-Dimethyl-6-methylidene-7,8,9,10,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthrene-. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals;Steroids;Pfizer compounds;Steroid and Hormone.This chemical's molecular formula is C20H24O2 and molecular weight is 296.40. What's more,Its systematic name is 6-Methyleneandrosta-1,4-diene-3,17-dione.It is a white to light yellow crystal powder.Exemestane is used as an antineoplastic.An oral steroidal aromatase inhibitor used in the adjuvant treatment of hormonally-responsive breast cancer in postmenopausal women.

Physical properties about Exemestane are:
(1)ACD/LogP: 2.432; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.52; (6)ACD/BCF (pH 7.4): 41.52; (7)ACD/KOC (pH 5.5): 501.13; (8)ACD/KOC (pH 7.4): 501.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 85.797 cm3; (14)Molar Volume: 260.59 cm3; (15)Surface Tension: 42.9010009765625 dyne/cm; (16)Density: 1.137 g/cm3; (17)Flash Point: 168.985 °C; (18)Enthalpy of Vaporization: 71.317 kJ/mol; (19)Boiling Point: 453.719 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Exemestane:
Triethyl orthoformate and ethanol are dissolved in tetrahydrofuran.In the presence of p-toluenesulfonic acid reaction,add N-methyl aniline and formaldehyde solution to continue to respond. The Mannich reaction products are soluble in benzoic acid and anhydrous 2 chew alkyl.Under the action of the DDQ,exemestane can be received, with a total yield of 45%. 

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