Estriol tripropionate

Base Information

• Chemical Name: Estriol tripropionate
• CAS No.: 2236-31-9
• Molecular Formula: C27H36 O6
• Molecular Weight: 456.579
• European Community (EC) Number: 218-798-6
• UNII: S2A0P1AFQ9
• DSSTox Substance ID: DTXSID4057689
• Nikkaji Number: J21.490F
• Wikipedia: Estriol_tripropionate
• Wikidata: Q24884621
• Metabolomics Workbench ID: 155001
• ChEMBL ID: CHEMBL3559901
• Mol file: 2236-31-9.mol

Synonyms:estriol tripropionate;2236-31-9;Estriol, tripropionate;ESTRIOL PROPIONATE;Estra-1,3,5(10)-triene-3,16alpha,17beta-triol tripropionate;UNII-S2A0P1AFQ9;S2A0P1AFQ9;DTXSID4057689;EINECS 218-798-6;Estriol tripropionate (JAN);ESTRIOL TRIPROPIONATE [JAN];Estriol (TN);ESTRIEL-DEPOT;[(8R,9S,13S,14S,16R,17R)-13-methyl-3,17-di(propanoyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] propanoate;SCHEMBL5184945;CHEMBL3559901;DTXCID5031478;CHEBI:188607;C27H36O6;Tox21_113694;ESTRIOL TRIPROPIONATE [WHO-DD];DB14641;NCGC00249918-01;CAS-2236-31-9;D01986;Q24884621;ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.,17.BETA.-TRIOL TRIPROPIONATE;ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, TRIPROPANOATE, (16.ALPHA.,17.BETA.)-

Chemical Property of Estriol tripropionate

Chemical Property:

• Melting Point: 99-101 °C
• Boiling Point: 543.5°Cat760mmHg
• Flash Point: 230.5°C
• PSA: 78.90000
• Density: 1.17g/cm³
• LogP: 5.11160
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 456.25118886
• Heavy Atom Count: 33
• Complexity: 749

Purity/Quality:

99% ^*data from raw suppliers

ESTRIOL TRIPROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)CC)C)C=CC(=C4)OC(=O)CC
• Isomeric SMILES: CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1OC(=O)CC)C)C=CC(=C4)OC(=O)CC

Technology Process of Estriol tripropionate

There total 2 articles about Estriol tripropionate 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:

Estriol (50-27-1,300853-07-0) + propionic acid anhydride (123-62-6) → estriol tripropionate (2236-31-9,300853-40-1)

Guidance literature:

With pyridine;

DOI:10.1248/cpb.11.510

Reference yield:

→ estra-1,3,5(10)-triene-3,16α,17β-triol tripropionate (2236-31-9,300853-40-1)

Guidance literature:

Triol (I), Propionsaeureanhydrid;

upstream raw materials:

Estriol

propionic acid anhydride