17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one

Base Information

• Chemical Name: 17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
• CAS No.: 15262-77-8
• Molecular Formula: C₂₁H₂₅ClO₃
• Molecular Weight: 360.881
• European Community (EC) Number: 239-306-6
• DSSTox Substance ID: DTXSID40864567
• Wikipedia: Delmadinone
• NCI Thesaurus Code: C169884
• Mol file: 15262-77-8.mol

Synonyms:delmadinone;delmadinone acetate;RS1301;Tardak

Chemical Property of 17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one

Chemical Property:

• Vapor Pressure: 9.19E-13mmHg at 25°C
• Refractive Index: 1.598
• Boiling Point: 515.058 °C at 760 mmHg
• PKA: 12.86±0.70(Predicted)
• Flash Point: 265.298 °C
• PSA: 54.37000
• Density: 1.271 g/cm³
• LogP: 3.95690
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 360.1492223
• Heavy Atom Count: 25
• Complexity: 763

Purity/Quality:

98%Min ^*data from raw suppliers

Delmadinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C=CC34C)Cl)C)O

Technology Process of 17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one

There total 5 articles about 17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-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: 100.0%

C21H26O4 → delmadinone (15262-77-8)

Guidance literature:

With hydrogenchloride; acetic acid; at 20 - 45 ℃;

Reference yield:

1,4,6-androstatriene-3,17-dione (633-35-2) → delmadinone (15262-77-8)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium carbonate / water; methanol / 20 - 45 °C

2.1: magnesium / tetrahydrofuran / 30 - 35 °C

2.2: 50 - 55 °C

2.3: 50 - 55 °C / pH 2 - 3

3.1: Perbenzoic acid / ethyl acetate / 20 - 25 °C

4.1: acetic acid; hydrogenchloride / 20 - 45 °C

With hydrogenchloride; Perbenzoic acid; sodium carbonate; magnesium; acetic acid; In tetrahydrofuran; methanol; water; ethyl acetate;

Reference yield:

C20H23NO2 → delmadinone (15262-77-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: magnesium / tetrahydrofuran / 30 - 35 °C

1.2: 50 - 55 °C

1.3: 50 - 55 °C / pH 2 - 3

2.1: Perbenzoic acid / ethyl acetate / 20 - 25 °C

3.1: acetic acid; hydrogenchloride / 20 - 45 °C

With hydrogenchloride; Perbenzoic acid; magnesium; acetic acid; In tetrahydrofuran; ethyl acetate;

upstream raw materials:

1,4,6-androstatriene-3,17-dione

1,4,6-triene-3,20-dione-17α-hydroxyprogesterone

Refernces

• 1、 -. "Method for preparing delmadinone acetate product". . . Retrieved 2019/03/06.