Gona-1,3,5(10)-trien-17-one, 3-methoxy-

Base Information

• Chemical Name: Gona-1,3,5(10)-trien-17-one, 3-methoxy-
• CAS No.: 4147-10-8
• Molecular Formula: C18H22O2
• Molecular Weight: 270.40
• DSSTox Substance ID: DTXSID30961736
• Mol file: 4147-10-8.mol

Synonyms:18-Norestrone methyl ether;Gona-1,3,5(10)-trien-17-one, 3-methoxy-;4147-10-8;DTXSID30961736;18,19-Dinorandrosta-1,3,5(10)-trien-17-one, 3-methoxy-;3-Methoxygona-1(10),2,4-trien-17-one

Chemical Property of Gona-1,3,5(10)-trien-17-one, 3-methoxy-

Chemical Property:

• Vapor Pressure: 1.39E-07mmHg at 25°C
• Boiling Point: 429.6°Cat760mmHg
• Flash Point: 191°C
• PSA: 26.30000
• Density: 1.112g/cm³
• LogP: 3.73030
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 270.161979940
• Heavy Atom Count: 20
• Complexity: 391

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A reproductive hazard.
• Hazard Codes: A reproductive hazard.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C3CCC4C(C3CC2)CCC4=O
• Isomeric SMILES: COC1=CC2=C(C=C1)[C@H]3CCC4[C@H]([C@@H]3CC2)CCC4=O
• Uses: Hormone.

Technology Process of Gona-1,3,5(10)-trien-17-one, 3-methoxy-

There total 11 articles about Gona-1,3,5(10)-trien-17-one, 3-methoxy- 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-methoxy-gona-1,3,5(10)-trien-17-one (4147-10-8)

Guidance literature:

With pyridine; trichlorophosphate; anschliessend mit wss.HCl;

DOI:10.1021/ja01556a075 DOI:10.1021/jo01265a019

Reference yield:

(+/-)-3-(7-methoxy-2c-methoxycarbonyl-(4ar,10at)-1,2,3,4,4a,9,10,10a-octahydro-[1t]phenanthryl)-propionic acid methyl ester (95815-50-2) → 3-methoxy-13α-gona-1,3,5(10)-trien-17-one (4248-04-8) + 3-methoxy-gona-1,3,5(10)-trien-17-one (4147-10-8)

Guidance literature:

With potassium tert-butylate; benzene; Erhitzen des Reaktionsprodukts mit wss.Triaethylenglikol;

DOI:10.1016/0006-3002(58)90457-8

Reference yield:

(+)-18-hydroxyestrone (2545-76-8) → 3-methoxy-gona-1,3,5(10)-trien-17-one (4147-10-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

2: aq. NaOH solution

With sodium hydroxide;

upstream raw materials:

3-(2-carboxy-7-methoxy-1,2,3,4,4a,9,10,10a-octahydro-[1]phenanthryl)-propionic acid

(+/-)-3-(7-methoxy-2c-methoxycarbonyl-(4ar,10at)-1,2,3,4,4a,9,10,10a-octahydro-[1t]phenanthryl)-propionic acid methyl ester

3-hydroxy-gona-1,3,5⁽¹⁰⁾-trien-17-one

dimethyl sulfate

Downstream raw materials:

3-methoxy-13α-gona-1,3,5(10)-trien-17-one