L39W5Ejl9P

Base Information

• Chemical Name: L39W5Ejl9P
• CAS No.: 25908-76-3
• Molecular Formula: C₂₂H₃₁FO₂
• Molecular Weight: 346.485
• UNII: L39W5EJL9P
• ChEMBL ID: CHEMBL2311118
• Nikkaji Number: J446.345E
• Mol file: 25908-76-3.mol

Synonyms:21-fluoro-16-ethyl-19-norprogesterone;21-fluoro-16-ethyl-19-norprogesterone, 18F-labeled;FENP

Chemical Property of L39W5Ejl9P

Chemical Property:

• Vapor Pressure: 2.52E-09mmHg at 25°C
• Melting Point: 157 - 159 °C
• Boiling Point: 478.7°C at 760 mmHg
• Flash Point: 179.7°C
• PSA: 34.14000
• Density: 1.11g/cm³
• LogP: 4.91910
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 346.23080839
• Heavy Atom Count: 25
• Complexity: 609

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)CF)C
• Isomeric SMILES: CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]2([C@H]1C(=O)CF)C

Technology Process of L39W5Ejl9P

There total 3 articles about L39W5Ejl9P 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:

21-<<(trifluoromethyl)sulfonyl>oxy>-16α-ethyl-19-norpregn-4-ene-3,20-dione (113975-10-3) → FENP (25908-76-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 60 ℃; for 0.166667h; Yield given;

DOI:10.1021/jm00402a019

Reference yield:

16α-ethyl-21-hydroxy-19-nor-pregn-4-ene-3,20-dione (24320-06-7) → FENP (25908-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / 2,6-lutidine / CH₂Cl₂ / 1 h / -78 °C

2: Bu₄NF / tetrahydrofuran / 0.17 h / 60 °C

With 2,6-dimethylpyridine; tetrabutyl ammonium fluoride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00402a019

Reference yield:

→ (13S,16R,17S)-16-Ethyl-17-(2-fluoro-acetyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one (24320-07-8,25908-76-3)

Guidance literature:

entspr. Alkohol IV, 1) ueber das 21-Jodid, 2) AgF;

upstream raw materials:

21-<<(trifluoromethyl)sulfonyl>oxy>-16α-ethyl-19-norpregn-4-ene-3,20-dione

16α-ethyl-21-hydroxy-19-nor-pregn-4-ene-3,20-dione