Estradiol 17-butyrate

Base Information

• Chemical Name: Estradiol 17-butyrate
• CAS No.: 18069-79-9
• Molecular Formula: C22H30 O3
• Molecular Weight: 342.478
• European Community (EC) Number: 241-977-5
• UNII: 340308DJ8M
• DSSTox Substance ID: DTXSID90939375
• Nikkaji Number: J260.861H
• Wikidata: Q27256305
• Mol file: 18069-79-9.mol

Synonyms:estradiol 17-butyrate

Chemical Property of Estradiol 17-butyrate

Chemical Property:

• Boiling Point: 474.3°Cat760mmHg
• Flash Point: 188°C
• PSA: 46.53000
• Density: 1.15g/cm³
• LogP: 4.96020
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Ethanol (Slightly)
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 342.21949481
• Heavy Atom Count: 25
• Complexity: 504

Purity/Quality:

99% ^*data from raw suppliers

Estradiol17-Butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
• Isomeric SMILES: CCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
• Uses: An Estradiol (E888000) 17-monoester. Short-chain fatty acid esters have a higher binding potency to the estrogen receptor than long-chain fatty acid esters. ge form from which estradiol is released by enzymic hydrolysis. An Estradiol (E888000) 17-monoester. Short-chain fatty acid esters have a higher binding potency to the estrogen receptor than long-chain fatty acid esters. Estradiol fatty acyl esters act as a storage form from which estradiol is released by enzymic hydrolysis.

Technology Process of Estradiol 17-butyrate

There total 3 articles about Estradiol 17-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:

3.17β-dibutyryloxy-estratriene-(1.3.5(10)) (63042-23-9) → 1,3,5(10)-Estratriene-3,17β-diol 17-propionate (18069-79-9)

Guidance literature:

With methanol; sodium carbonate; at 20 ℃;

DOI:10.1002/hlca.19370200137

Reference yield:

estradiol (50-28-2) + butyric acid (107-92-6) → 1,3,5(10)-Estratriene-3,17β-diol 17-propionate (18069-79-9)

Guidance literature:

DOI:10.1111/1467-954X.00223

Reference yield:

estradiol (50-28-2) → 1,3,5(10)-Estratriene-3,17β-diol 17-propionate (18069-79-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 115 °C

2: K₂CO₃; aqueous methanol / 20 °C

With pyridine; methanol; potassium carbonate;

DOI:10.1002/hlca.19370200137

upstream raw materials:

3.17β-dibutyryloxy-estratriene-(1.3.5(10))

estradiol

butyric acid