17 beta-acetoxy-3-methoxy-9-oxo-9,11-secoestra-1,3,5(10)-trien-11-oic acid

Base Information

• Chemical Name: 17 beta-acetoxy-3-methoxy-9-oxo-9,11-secoestra-1,3,5(10)-trien-11-oic acid
• CAS No.: 1247-46-7
• Molecular Formula: C₂₁H₂₆O₆
• Molecular Weight: 374.434
• Mol file: 1247-46-7.mol

Synonyms:9,11-Secoestra-1,3,5(10)-trien-11-oicacid, 17b-hydroxy-3-methoxy-9-oxo-,acetate (7CI,8CI); Cyclopentaneacetic acid,2-(acetyloxy)-1-methyl-5-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-,[1S-[1a,2b,5b(R*)]]- (9CI); 3-Methoxy-9,11-seco-9-oxo-17b-acetoxyestra-1,3,5(10)-trien-11-oic acid

Chemical Property of 17 beta-acetoxy-3-methoxy-9-oxo-9,11-secoestra-1,3,5(10)-trien-11-oic acid

Chemical Property:

• Vapor Pressure: 4.03E-13mmHg at 25°C
• Boiling Point: 554.3°Cat760mmHg
• Flash Point: 192.7°C
• PSA: 89.90000
• Density: 1.24g/cm³
• LogP: 3.26300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 17 beta-acetoxy-3-methoxy-9-oxo-9,11-secoestra-1,3,5(10)-trien-11-oic acid

There total 7 articles about 17 beta-acetoxy-3-methoxy-9-oxo-9,11-secoestra-1,3,5(10)-trien-11-oic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

17β-Acetoxy-9β-hydroxy-3-methoxy-oestratrien-(1.3.5,10)-on-(11) (20823-30-7) → 17β-acetoxy-3-methoxy-9-oxo-9,11-seco-1,3,5(10)-estratrien-11-oic acid (1247-46-7)

Guidance literature:

With hydrogenchloride; sodium periodate; In acetone; for 8h; Heating;

DOI:10.1055/s-1995-3887

Reference yield: 50.0%

3-methoxy-17β-acetoxy-1,3,5(10)-estratriene (2394-16-3,3494-10-8,13587-62-7,15384-71-1,25089-51-4,52949-64-1,54274-75-8,54274-77-0,58717-93-4,5976-55-6) → 17β-hydroxy-3-methoxy-6-oxo-estra-1,3,5(10)-triene 17-acetate + 3,9α,17β-trihydroxyestra-1,3,5(10)-trien-11-one 17-acetate 3-methyl ether (1923-05-3) + 17β-acetoxy-3-methoxy-9-oxo-9,11-seco-1,3,5(10)-estratrien-11-oic acid (1247-46-7)

Guidance literature:

With chromium(VI) oxide; acetic acid; In water; at 5 - 20 ℃;

DOI:10.1016/j.bmcl.2008.05.093

Reference yield: 44.0%

3-methoxy-13β-methylgona-1,3,5(10),9(11)-tetraen-17β-yl acetate (10005-66-0) → 17β-Acetoxy-9β-hydroxy-3-methoxy-oestratrien-(1.3.5,10)-on-(11) (20823-30-7) + 17β-acetoxy-3-methoxy-9-oxo-9,11-seco-1,3,5(10)-estratrien-11-oic acid (1247-46-7) + (3aS,4S,6aS)-4-((S)-6-Methoxy-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-yl)-3a-methyl-hexahydro-cyclopenta[b]furan-2-one

Guidance literature:

With jones reagent; at 5 ℃; Product distribution; effect of temperature;

DOI:10.1055/s-1995-3887

upstream raw materials:

3-methoxy-13β-methylgona-1,3,5(10),9(11)-tetraen-17β-yl acetate

17β-Acetoxy-9β-hydroxy-3-methoxy-oestratrien-(1.3.5,10)-on-(11)

3-methoxy-17β-acetoxy-1,3,5(10)-estratriene

Downstream raw materials:

11-hydroxy-9,11-seco-17β-estradiol 3-methyl ether