Estradiol undecylate

Base Information

• Chemical Name: Estradiol undecylate
• CAS No.: 3571-53-7
• Molecular Formula: C29H44O3
• Molecular Weight: 440.667
• European Community (EC) Number: 222-677-3
• UNII: H3N3A8MFJC
• DSSTox Substance ID: DTXSID3023003
• Nikkaji Number: J8.162K
• Wikipedia: Estradiol_undecylate
• Wikidata: Q5401764
• NCI Thesaurus Code: C169964
• ChEMBL ID: CHEMBL1697794
• Mol file: 3571-53-7.mol

Synonyms:estradiol 17-undecanoate

Chemical Property of Estradiol undecylate

Chemical Property:

• Vapor Pressure: 6.37E-13mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 554.9 °C at 760 mmHg
• Flash Point: 208.7 °C
• PSA: 46.53000
• Density: 1.07 g/cm³
• LogP: 7.69090
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 440.32904526
• Heavy Atom Count: 32
• Complexity: 603

Purity/Quality:

98%Min ^*data from raw suppliers

ESTRADIOL UNDECYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
• Isomeric SMILES: CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
• Uses: Estrogen.

Technology Process of Estradiol undecylate

There total 2 articles about Estradiol undecylate 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:

3,17β-bis-undecanoyloxy-estra-1,3,5(10)-triene (1263-57-6) → estradiol undecanoate (3571-53-7)

Guidance literature:

With sodium hydroxide;

Reference yield:

estradiol (50-28-2) → estradiol undecanoate (3571-53-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: methanol. NaOH

With pyridine; sodium hydroxide;

upstream raw materials:

3,17β-bis-undecanoyloxy-estra-1,3,5(10)-triene

estradiol