17-acetyl-6-fluoro-5-hydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16 ,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Base Information

• Chemical Name: 17-acetyl-6-fluoro-5-hydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16 ,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
• CAS No.: 4660-45-1
• Molecular Formula: C₂₁H₃₁FO₃
• Molecular Weight: 350.474
• Mol file: 4660-45-1.mol

Synonyms:Pregnane-3,20-dione,6b-fluoro-5-hydroxy- (7CI); NSC 48987; U8374

Chemical Property of 17-acetyl-6-fluoro-5-hydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16 ,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Chemical Property:

• Vapor Pressure: 9.26E-11mmHg at 25°C
• Melting Point: 279-281 °C
• Boiling Point: 468.8°Cat760mmHg
• PKA: 12.94±0.70(Predicted)
• Flash Point: 237.3°C
• PSA: 54.37000
• Density: 1.17g/cm³
• LogP: 3.86630

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 17-acetyl-6-fluoro-5-hydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16 ,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

There total 10 articles about 17-acetyl-6-fluoro-5-hydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16 ,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one 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:

Pregnenolone acetate (1778-02-5) → 6β-fluoro-5-hydroxy-5α-pregnane-3,20-dione (4660-45-1)

Guidance literature:

Multi-step reaction with 4 steps

1: peroxyacetic acid; sodium acetate

2: CHCl₃; THF; HF

3: ether BF₃; methanol

4: Na₂Cr₂O₇; acetic acid

With tetrahydrofuran; methanol; peracetic acid; sodium dichromate; chloroform; boron trifluoride diethyl etherate; hydrogen fluoride; sodium acetate; acetic acid;

Reference yield:

3β-acetoxy-6β-fluoro-5-hydroxy-5α-pregnan-20-one (2135-23-1) → 6β-fluoro-5-hydroxy-5α-pregnane-3,20-dione (4660-45-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ether BF₃; methanol

2: Na₂Cr₂O₇; acetic acid

With methanol; sodium dichromate; boron trifluoride diethyl etherate; acetic acid;

Reference yield:

5α,6α-epoxy-20-oxopregnan-3β-yl acetate (14148-09-5) → 6β-fluoro-5-hydroxy-5α-pregnane-3,20-dione (4660-45-1)

Guidance literature:

Multi-step reaction with 3 steps

1: CHCl₃; THF; HF

2: ether BF₃; methanol

3: Na₂Cr₂O₇; acetic acid

With tetrahydrofuran; methanol; sodium dichromate; chloroform; boron trifluoride diethyl etherate; hydrogen fluoride; acetic acid;

upstream raw materials:

6β-fluoro-5α-pregnane-3β,5,20β_F-triol

6β-fluoro-3β,5-dihydroxy-5α-pregnan-20-one

5,6α-epoxy-5α-pregnane-3,20-dione

3,3-ethanediyldioxy-6β-fluoro-5-hydroxy-5α-pregnan-20-one

Downstream raw materials:

6α-Fluoro-4-pregnene-3,20-dione