Estradiol 17-acetate 3-benzoate

Base Information

Chemical Name:Estradiol 17-acetate 3-benzoate
CAS No.:4954-17-0
Molecular Formula:C27H30 O4
Molecular Weight:418.533
Hs Code.:
European Community (EC) Number:225-597-7
UNII:T8X3S85D7Q
DSSTox Substance ID:DTXSID30964247
Nikkaji Number:J203.205H
Wikidata:Q27289822
Mol file:4954-17-0.mol

Synonyms:Estradiol 17-acetate 3-benzoate;4954-17-0;EINECS 225-597-7;UNII-T8X3S85D7Q;T8X3S85D7Q;Estra-1,3,5(10)-triene-3,17beta-diol 17-acetate 3-benzoate;Estradiol, 17-acetate 3-benzoate;C27H30O4;Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 17-acetate 3-benzoate;SCHEMBL8155723;DTXSID30964247;C27-H30-O4;ESTRADIOL BENZOATE IMPURITY H [EP IMPURITY];17-(Acetyloxy)estra-1(10),2,4-trien-3-yl benzoate;Q27289822;17.beta.-(Acetyloxy)-3-(benzoyloxy)estra-1,3,5(10)-triene

Suppliers and Price of Estradiol 17-acetate 3-benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Estradiol 17-acetate 3-benzoate

Chemical Property:

Boiling Point:537°Cat760mmHg
Flash Point:266.7°C
PSA：52.60000
Density:1.2g/cm³
LogP:5.69360
XLogP3:5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:418.21440943
Heavy Atom Count:31
Complexity:683

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C
Isomeric SMILES:CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C

Technology Process of Estradiol 17-acetate 3-benzoate

There total 7 articles about Estradiol 17-acetate 3-benzoate 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: 86.0%

: 50-50-0
Estradiol 3-benzoate

: 108-24-7
acetic anhydride

: 4954-17-0
benzoate of 17β-acetylestradiol

Guidance literature:: With pyridine; dmap; In dichloromethane; at 0 ℃; for 24h;
DOI:10.1080/00397911.2018.1429634

Reference yield:

: 5541-16-2
17-acetoxy-3-benzoyloxy-estra-1,3,5⁽¹⁰⁾,16-tetraene

: 4954-17-0
benzoate of 17β-acetylestradiol

Guidance literature:: With 1,4-dioxane; Lindlar's catalyst; Hydrogenation;

Reference yield:

: 2393-53-5
estrone 3-benzoate

: 4954-17-0
benzoate of 17β-acetylestradiol

Guidance literature:: Multi-step reaction with 2 steps

1: H₂SO₄

2: palladium/CaCO₃; dioxane / Hydrogenation

With 1,4-dioxane; Lindlar's catalyst; sulfuric acid;