Estradiol propionate

Base Information

• Chemical Name: Estradiol propionate
• CAS No.: 3758-34-7
• Molecular Formula: C21H28 O3
• Molecular Weight: 328.452
• European Community (EC) Number: 223-164-7
• UNII: K31PC34297
• DSSTox Substance ID: DTXSID4048985
• Nikkaji Number: J217.653J
• Wikipedia: Estradiol_monopropionate
• Wikidata: Q27281883
• ChEMBL ID: CHEMBL2356687
• Mol file: 3758-34-7.mol

Synonyms:3758-34-7;estradiol propionate;ESTRADIOL 17-PROPIONATE;beta-Estradiol 17-propionate;[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate;DTXSID4048985;UNII-K31PC34297;EINECS 223-164-7;K31PC34297;Estra-1,3,5(10)-triene-3,17beta-diol 17-propionate;Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 17-propanoate;beta-Estradiol17-propionate;NCGC00183033-01;Estradiol, 17-propionate;SCHEMBL480992;CHEMBL2356687;DTXCID4028911;(17beta)-Estradiol 17-propionate;Tox21_113447;CAS-3758-34-7;Q27281883;1,3,5(10)-ESTRATRIENE-3,17.BETA.-DIOL 17-PROPIONATE;(1S,3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate

Chemical Property of Estradiol propionate

Chemical Property:

• Vapor Pressure: 3.58E-09mmHg at 25°C
• Boiling Point: 462.4 °C at 760 mmHg
• Flash Point: 184.9 °C
• PSA: 46.53000
• Density: 1.16 g/cm³
• LogP: 4.57010
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 328.20384475
• Heavy Atom Count: 24
• Complexity: 490

Purity/Quality:

98% ^*data from raw suppliers

Estradiol17-Propionate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N,F
• Statements: 40-48-67-65-50/53-38-20-11
• Safety Statements: 22-24/25-62-61-60-33-25-16-9

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
• Isomeric SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
• Uses: A 17β-estradiol A 17β-estradiol ester as prodrug of Estradiol (E888000).

Technology Process of Estradiol propionate

There total 9 articles about Estradiol propionate 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: 99.8%

estradiol dipropionate (113-38-2) → 17β-propionyloxy-estra-1,3,5(10)-trien-3-ol (3758-34-7)

Guidance literature:

With potassium carbonate; In methanol; for 1.5h; Ambient temperature;

DOI:10.1007/BF00764184

Reference yield:

estradiol (50-28-2) → 17β-propionyloxy-estra-1,3,5(10)-trien-3-ol (3758-34-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 80.03 percent / pyridine / 1 h / 105 - 110 °C

2: 99.8 percent / 1percent K₂CO₃ / methanol / 1.5 h / Ambient temperature

With pyridine; potassium carbonate; In methanol;

DOI:10.1007/BF00764184

Reference yield:

Estrone (53-16-7) → 17β-propionyloxy-estra-1,3,5(10)-trien-3-ol (3758-34-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) 18.8percent aq. NaOH, 2.) NaBH₄ / 1.) MeOH

2: 80.03 percent / pyridine / 1 h / 105 - 110 °C

3: 99.8 percent / 1percent K₂CO₃ / methanol / 1.5 h / Ambient temperature

With pyridine; sodium hydroxide; sodium tetrahydroborate; potassium carbonate; In methanol;

DOI:10.1007/BF00764184

upstream raw materials:

estradiol dipropionate

estradiol

propionic acid

hydrogenchloride

Downstream raw materials:

estradiol

Refernces