Oestr-4-en-17-one

Base Information

• Chemical Name: Oestr-4-en-17-one
• CAS No.: 3646-28-4
• Molecular Formula: C18H26O
• Molecular Weight: 258.404
• European Community (EC) Number: 222-878-6
• DSSTox Substance ID: DTXSID80957785
• Nikkaji Number: J205.565A
• Wikidata: Q76009915
• Mol file: 3646-28-4.mol

Synonyms:estr-4-en-17-one;3646-28-4;Oestr-4-en-17-one;Allylestrenol Impurity A;3846-28-4;EINECS 222-878-6;(8R,9S,10R,13S,14S)-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one;4-Estren-17-one;Estrernone;SCHEMBL7861153;AMY2886;DTXSID80957785;(3aS,3bR,9aR,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one;(8R,9S,10R,13S,14S)-13-methyl-2,3,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(6H)-one

Chemical Property of Oestr-4-en-17-one

Chemical Property:

• Vapor Pressure: 4.91E-06mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 381.9 °C at 760 mmHg
• Flash Point: 164.3 °C
• PSA: 17.07000
• Density: 1.06 g/cm³
• LogP: 4.51830
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 258.198365449
• Heavy Atom Count: 19
• Complexity: 435

Purity/Quality:

98%,99%, ^*data from raw suppliers

Estr-4-en-17-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=CCCCC34
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@H]34
• Uses: Estr-4-en-17-one, is an impurity of Allylestrenol. It can be used in the synthesis of Ethylestrenol (E917830), an anabolic steroid.

Technology Process of Oestr-4-en-17-one

There total 1 articles about Oestr-4-en-17-one 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:

→ Δ4-Oestren-17-on (3646-28-4,19685-06-4)

Guidance literature:

Alkohol IV, CrO3;

Reference yield: 59.0%

p-N,N-diethylaminobenzaldehyde (54337-10-9) + 4-Estren-17-one (3646-28-4) → C28H41NO

Guidance literature:

With cesium fluoride; In toluene; at 20 ℃; for 12h; Irradiation;

DOI:10.1039/d1sc06278f

Reference yield:

4-Estren-17-one (3646-28-4) → lynestrenol (52-76-6)

Guidance literature:

With isopropyl alcohol;

Downstream raw materials:

17α-methyl-estr-4-en-17β-ol

ethylestrenol

lynestrenol