3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol

Base Information

• Chemical Name: 3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol
• CAS No.: 5781-42-0
• Molecular Formula: C21H28O3
• Molecular Weight: 328.4452
• NSC Number: 46478
• DSSTox Substance ID: DTXSID30973394
• Nikkaji Number: J2.794.467A
• Wikidata: Q27149108

Synonyms:3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol;5781-42-0;(8R,9S,13S,14S,16S,17R)-13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol;MLS002667061;16.beta.-Estriol, 3-allyl ether;CHEBI:79941;DTXSID30973394;NSC46478;NSC-46478;Q27149108;3-(2-Propenyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol;3-[(Prop-2-en-1-yl)oxy]estra-1(10),2,4-triene-16,17-diol;Estra-1,5(10)-triene-16.beta.,17.beta.-diol, 3-(allyloxy)-

Chemical Property of 3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol

Chemical Property:

• Vapor Pressure: 5E-10mmHg at 25°C
• Boiling Point: 480.1°Cat760mmHg
• Flash Point: 244.2°C
• Density: 1.159g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 328.20384475
• Heavy Atom Count: 24
• Complexity: 478

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OCC=C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OCC=C

Technology Process of 3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol

There total 5 articles about 3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-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%

epiestriol (547-81-9,300853-07-0) + allyl bromide (106-95-6) → 3-O-(2-propenyl)epiestriol (5781-42-0)

Guidance literature:

With sodium hydroxide; In acetone; for 24h;

DOI:10.1021/jo00291a020

Reference yield:

→ 3-Allyloxy-oestra-1,3,5(10)-trien-3,16α,17α-diol (5781-42-0,10448-94-9,95118-49-3)

Guidance literature:

Oestra-1,3,5(10)-trien-3,16α,17α-triol, 90percentig. wss. methanol. K2CO3, sd. Allylbromid;

Reference yield:

→ 3-Allyloxy-oestra-1,3,5(10)-trien-3,16β,17α-diol (5781-42-0,10448-94-9,95118-49-3)

Guidance literature:

Oestra-1,3,5(10)-trien-3,16β,17α-triol, 90percentig. wss. methanol. K2CO3, sd. Allylbromid;

upstream raw materials:

epiestriol

allyl bromide

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