Levonorgestrel butyrate

Base Information

• Chemical Name: Levonorgestrel butyrate
• CAS No.: 86679-33-6
• Molecular Formula: C25H34 O3
• Molecular Weight: 382.543
• European Community (EC) Number: 289-270-0
• UNII: L929CBB126
• DSSTox Substance ID: DTXSID801166916
• Wikipedia: Levonorgestrel_butanoate
• Wikidata: Q27282852
• Mol file: 86679-33-6.mol

Synonyms:levonorgestrel butanoate

Chemical Property of Levonorgestrel butyrate

Chemical Property:

• Boiling Point: 491.7oC at 760 mmHg
• Flash Point: 210.7oC
• PSA: 43.37000
• Density: 1.11
• LogP: 5.35660
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 382.25079494
• Heavy Atom Count: 28
• Complexity: 740

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)CC)C#C
• Isomeric SMILES: CCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)CC)C#C
• Recent ClinicalTrials: A Phase I Study to Evaluate the PK and PD of a Single Injection of Levonorgestrel Butanoate for Female Contraception

Technology Process of Levonorgestrel butyrate

There total 2 articles about Levonorgestrel butyrate 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: 98.4%

levonorgestrel (797-63-7) + butyric acid (107-92-6) → levonorgestrel 17β-butyrate (86679-33-6)

Guidance literature:

With sodium carbonate; trifluoroacetic anhydride; In benzene; for 1.5h; Ambient temperature;

DOI:10.1016/0039-128X(85)90027-3

Reference yield:

butyryl chloride (141-75-3) + levonorgestrel (797-63-7) → levonorgestrel 17β-butyrate (86679-33-6)

Guidance literature:

With thallium (I) ethoxide;

DOI:10.1016/0039-128X(83)90095-8

upstream raw materials:

butyryl chloride

levonorgestrel

butyric acid

Refernces

• 1、 Shafiee, A.,Vossoghi, M.,Savabi, F.,Schubert, K.,Ponsold, K.,et al.. "Long-acting contraceptive agents: Alphatic and alicyclic carboxylic esters of levonorgestrel". . p. 349 - 359. Retrieved 2007/10/02.