Estra-1,3,5(10),7-tetraene-3,17alpha-diol

Base Information

• Chemical Name: Estra-1,3,5(10),7-tetraene-3,17alpha-diol
• CAS No.: 651-55-8
• Molecular Formula: C18H22 O2
• Molecular Weight: 270.371
• Hs Code.: 2937230000
• European Community (EC) Number: 211-482-9
• UNII: 48P73794OJ
• DSSTox Substance ID: DTXSID70873788
• Nikkaji Number: J21.602J
• Wikipedia: 17%CE%B1-Dihydroequilin
• Wikidata: Q24882711
• Metabolomics Workbench ID: 35285
• Mol file: 651-55-8.mol

Synonyms:17 alpha-dihydroequilin;17-dihydroequilin;17alpha-dihydroequilein;alpha-dihydroequilin;beta-dihydroequilin;dihydroequilin;dihydroequilin, (17beta)-isomer

Chemical Property of Estra-1,3,5(10),7-tetraene-3,17alpha-diol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 205.5-205.6°
• Boiling Point: 457.798°C at 760 mmHg
• PKA: pKa 10.29±0.02(H2O t=23±2)(Approximate)
• Flash Point: 217.155°C
• PSA: 40.46000
• Density: 1.23g/cm³
• LogP: 3.52930
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly), Methanol (Slightl
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 270.161979940
• Heavy Atom Count: 20
• Complexity: 429

Purity/Quality:

99%, ^*data from raw suppliers

17α-DihydroEquilin ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O
• Isomeric SMILES: C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CC[C@H]2O

Technology Process of Estra-1,3,5(10),7-tetraene-3,17alpha-diol

There total 18 articles about Estra-1,3,5(10),7-tetraene-3,17alpha-diol 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: 80.0%

d,l-equilin (474-86-2,24022-60-4) → 17β-dihydroequilin (651-55-8,3563-27-7,23392-56-5,56143-08-9,109715-10-8)

Guidance literature:

With lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; for 16h; Ambient temperature;

DOI:10.1016/0039-128X(83)90031-4

Reference yield:

→ estra-1,3,5(10),7-tetraene-3,17α-diol (651-55-8,3563-27-7,23392-56-5,56143-08-9,109715-10-8)

Guidance literature:

d-3-Methoxyestra-1,3,5(10),7-tetraen-17β-ol-format, Methylamin, NH4Cl;

Reference yield:

equilin (474-86-2) → 17alpha-Dihydroequilin (651-55-8)

Guidance literature:

With aluminum isopropoxide; isopropyl alcohol;

upstream raw materials:

equilin

d,l-equilin

rac-3-Methoxy-oestra-1,3,5(10),7-tetraen-17β-ol

rac-3-Methoxyoestra-1,3,5(10)-trien-8α,17β-diol

Downstream raw materials:

d,l-equilin

1,3,5(10),7-estratetraene-3,17β-diol 3-benzoate

1,3,5(10),7-estratetraene-3,17-diol 3,17α-diacetate

estra-1,3,5(10),9(11)-tetraene-3,17α-diol

Refernces

• 1、 -. "Steroid ether splitting". . . Retrieved 2008/06/13.