114611-53-9

Basic information

• Product Name: 17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate
• Synonyms: 17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate;17-Iodoandrosta-5,16-dien-3beta-acetate ester;Abiraterone Acetate InterMediate;(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11, 12,13,14,15-dodecahydro-1H-cyclo;17-Iodoandrosta-5,16-dien-3β-acetate ester;(3beta)-17-iodo-Androsta-5,16-dien-3-ol 3-acetate;(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-diMethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate;[(3S,8R,9S,10R,13S,14S)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS NO: 114611-53-9
• Molecular Formula: C21H29IO2
• Molecular Weight: 440
• Mol File: 114611-53-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 455.8±45.0 °C(Predicted)
• Appearance: /
• Density: 1.41
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate(114611-53-9)
• EPA Substance Registry System: 17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate(114611-53-9)

Safety Data

• Hazardous Substances Data: 114611-53-9(Hazardous Substances Data)

Usage

Description

17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate is a white powder chemical compound derived from the androstane class of steroids. It is characterized by its unique molecular structure, which includes a 17-iodo substitution and a 3beta-ol functional group, along with a 3-acetate group. 17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate is known for its potential applications in the pharmaceutical industry, particularly in the synthesis of specific drug molecules.

Uses

Used in Pharmaceutical Industry:
17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate is used as an intermediate in the synthesis of Oxoabiraterone Acetate, a drug used for the treatment of prostate cancer. Its unique chemical structure allows for the efficient production of this therapeutic agent, contributing to the development of effective cancer treatments.
Additionally, 17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate is also utilized in the preparation of Abiraterone Acetate, another medication prescribed for the treatment of prostate cancer. Its role in the synthesis process highlights its importance in the pharmaceutical sector, as it aids in the production of life-saving drugs for patients suffering from this disease.

InChI:InChI=1S/C21H29IO2/c1-13(23)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(22)21(17,3)11-9-18(16)20/h4,7,15-18H,5-6,8-12H2,1-3H3/t15?,16?,17?,18?,20-,21-/m0/s1/i22+18

Upstream product

• 32138-69-5 17-iodo-5,16-androstadien-3-ol 
• 108-24-7 acetic anhydride 
• 122914-94-7 3β-acetoxyandrost-5-en-17-hydrazone 
• 853-23-6 prasterone acetate 
• 53-43-0 dehydroepiandrosterone 

Downstream Products

• 154229-19-3 abiraterone 

Relevant articles and documents

Synthesis method of 7-oxo abiraterone acetate

The invention relates to a synthetic method for preparing 7-oxo abiraterone acetate, wherein the method can realize directional synthesis of the impurity, is high in purity, and has a great promotioneffect on further research on drug safety, reliability and stability related to abiraterone acetate and quality control in the production process of abiraterone acetate.

Material used for abiraterone acetate refined products and synthetic method thereof

The invention belongs to the technical field of organic chemistry, and discloses a material used for abiraterone acetate refined products and a synthetic method thereof. The synthetic method of the material used for abiraterone acetate refined products is realized by reaction of acetate dehydroepiandrosterone, a compound B, a compound C, a compound D and a compound E. According to the invention, the synthetic route is short, reaction conditions are easily achieved, and compared with other synthetic routes, the material has the advantages that weak acid is adopted, corrosion to equipment is small, and single-step yields are all 85% or above.

Synthesis method of abiraterone acetate highly finished product

The invention belongs to the technical field of organic chemistry, and discloses a synthesis method of an abiraterone acetate highly finished product. The synthesis method comprises the following steps: sequentially adding absolute ethyl alcohol, hydrazine hydrate and glacial acetic acid in dehydroisoandrosterone 3-acetate (SM1), and preparing a reactant B at the temperature of 20-30 DEG C; addingtetrahydrofuran and iodine, slowly adding tetramethyl guanidine at the temperature of -5 to 5 DEG C, controlling the temperature to be 10 DEG C or below, and dropwise adding a tetrahydrofuran solution of the compound B at the temperature of -5 to 5 DEG C for 6 h to obtain a compound C; sequentially adding tetrahydrofuran, diethyl-(3-pyridine)borane, trans-dichlorobis(triphenyl-phosphine)palladiumand a tetrabutylammonium fluoride trihydrate in the compound C to obtain a compound D; and adding dichloromethane and 4-dimethylaminopyridine in the compound D, slowly adding acetic anhydride at thetemperature of 15-35 DEG C, and adding activated carbon and methanol-water after finishing the reaction to obtain a compound E, and highly finishing the compound E to prepare the abiraterone acetate highly finished product.