(±)-13-ethyl-3-methoxy-18,19-dinor-17alpha-pregna-2,5(10)-dien-20-yn-17-ol

Base Information

• Chemical Name: (±)-13-ethyl-3-methoxy-18,19-dinor-17alpha-pregna-2,5(10)-dien-20-yn-17-ol
• CAS No.: 799-43-9
• Deprecated CAS: 85026-83-1
• Molecular Formula: C₂₂H₃₀O₂
• Molecular Weight: 326.479
• European Community (EC) Number: 238-514-4,212-350-3
• UNII: GJ0X8NU55V
• Nikkaji Number: J241.274H
• Mol file: 799-43-9.mol

Synonyms:EP Levonorgestrel Impurity B;

Chemical Property of (±)-13-ethyl-3-methoxy-18,19-dinor-17alpha-pregna-2,5(10)-dien-20-yn-17-ol

Chemical Property:

• Melting Point: 130-136 °C
• Boiling Point: 462.8°Cat760mmHg
• PKA: 13.08±0.60(Predicted)
• Flash Point: 199.3°C
• PSA: 29.46000
• Density: 1.11g/cm³
• LogP: 4.59780
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 326.224580195
• Heavy Atom Count: 24
• Complexity: 648

Purity/Quality:

99% ^*data from raw suppliers

13-Ethyl-3-methoxy-18,19-dinorpregna-2,5(10)-dien-20-yn-17-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CCC3C(C1CCC2(C#C)O)CCC4=C3CC=C(C4)OC
• Isomeric SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CC=C(C4)OC
• Uses: An impurity from the synthesis of Levonorgestrel (N689510), an oral contraceptive. 13-Ethyl-3-methoxy-18,19-dinorpregna-2,5(10)-dien-20-yn-17-ol is a steroid used in the synthesis of other steroid hormones.

Technology Process of (±)-13-ethyl-3-methoxy-18,19-dinor-17alpha-pregna-2,5(10)-dien-20-yn-17-ol

There total 7 articles about (±)-13-ethyl-3-methoxy-18,19-dinor-17alpha-pregna-2,5(10)-dien-20-yn-17-ol 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:

13β-Ethyl-3-methoxy-gona-2,5(10)-dien-17-on (2322-77-2,6236-40-4,17092-08-9,19640-64-3) + acetylene (74-86-2,25067-58-7) → 13β-ethyl-3-methoxy-17α-ethynyl-gona-2,5(10)-dien-17β-ol (799-43-9,14507-51-8,19640-66-5,24377-29-5)

Guidance literature:

With potassium isopropoxide; In dimethyl sulfoxide; at 30 ℃; Temperature; Reagent/catalyst; Solvent;

Reference yield:

→ 13β-ethyl-3-methoxy-17α-ethynyl-gona-2,5(10)-dien-17β-ol (799-43-9,14507-51-8,19640-66-5,24377-29-5)

Guidance literature:

aus Keton (VII) u. HC-=CH/Li-C-=CH*H2N-2-NH2-Komplex;

Reference yield:

→ (R)-13-Ethyl-17-ethynyl-3-methoxy-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (799-43-9,14507-51-8,19640-66-5,24377-29-5)

Guidance literature:

dl-1,4-Dihydro-18-homoestron-Me-aether , C2H2 / LiAlH4;

upstream raw materials:

13β-Ethyl-3-methoxy-gona-2,5(10)-dien-17-on

acetylene

Downstream raw materials:

levonorgestrel

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