3-O-Benzyl Estriol

Base Information

• Chemical Name: 3-O-Benzyl Estriol
• CAS No.: 18650-87-8
• Molecular Formula: C₂₅H₃₀O₃
• Molecular Weight: 378.511
• European Community (EC) Number: 633-757-6
• ChEMBL ID: CHEMBL3138703
• DSSTox Substance ID: DTXSID70582803
• Wikidata: Q76507378
• Mol file: 18650-87-8.mol

Synonyms:3-O-Benzyl Estriol;18650-87-8;Estriol 3-Benzyl Ether;(8R,9S,13S,14S,16R,17R)-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol;(16alpha,17beta)-3-(Benzyloxy)estra-1,3,5(10)-triene-16,17-diol;Estriol Impurity C;SCHEMBL301447;CHEMBL3138703;DTXSID70582803;J-011971

Chemical Property of 3-O-Benzyl Estriol

Chemical Property:

• PSA: 49.69000
• LogP: 4.45340
• Storage Temp.: Refrigerator
• Solubility.: Dichloromethane, DMSO, Methanol
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 378.21949481
• Heavy Atom Count: 28
• Complexity: 544

Purity/Quality:

95% ^*data from raw suppliers

3-O-BenzylEstriol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OCC5=CC=CC=C5
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OCC5=CC=CC=C5
• Uses: Protected Estriol. Protected 17-Epiestriol.

Technology Process of 3-O-Benzyl Estriol

There total 3 articles about 3-O-Benzyl Estriol 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-Benzyloxy-oestra-1,3,5(10)-trien-16α,17β-diol (18650-87-8,33116-58-4,1316291-21-0)

Guidance literature:

Oestra-1,3,5(10)-trien-3,16α,17β-triol, Benzylchlorid, K2CO3;

DOI:10.1021/ja00995a068

Reference yield:

→ 3-Benzyloxy-oestra-1,3,5(10)-trien-16β,17β-diol (18650-87-8,33116-58-4,1316291-21-0)

Guidance literature:

3-Benzyloxy-17β-hydroxy-oestra-1,3,5(10)-trien-16-on, KBH4;

Reference yield:

→ 3-o- benzyl estriol (18650-87-8,33116-58-4,1316291-21-0)

Guidance literature:

Keton II b, 1) LiAlH4, 2) H+;