17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one

Base Information Edit

Chemical Name:17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one
CAS No.:2787-02-2
Molecular Formula:C22H28 O3
Molecular Weight:340.463
Hs Code.:
European Community (EC) Number:220-513-5
UNII:T23UZG3E4S
DSSTox Substance ID:DTXSID301025472
Nikkaji Number:J22.733A
Mol file:2787-02-2.mol

Synonyms:2787-02-2;17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one;2-Hydroxymethylene Ethisterone;(2Z,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one;T23UZG3E4S;DTXSID301025472;TESTOSTERONE, 17-ETHYNYL-2-(HYDROXYMETHYLENE)-;(17R)-17-Hydroxy-2-hydroxymethylenepregn-4-en-20-yn-3-one;(17.ALPHA.)-17-HYDROXY-2-(HYDROXYMETHYLENE)PREGN-4-EN-20-YN-3-ONE;PREGN-4-EN-20-YN-3-ONE, 17-HYDROXY-2-(HYDROXYMETHYLENE)-, (17.ALPHA.)-;(1R,3AS,3BR,8E,9AR,9BS,11AS)-1-ETHYNYL-1-HYDROXY-8-(HYDROXYMETHYLIDENE)-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,7H,8H,9H,9AH,9BH,10H,11H,11AH-CYCLOPENTA(A)PHENANTHREN-7-ONE

Suppliers and Price of 17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one

Supply Marketing:Edit

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

American Custom Chemicals Corporation
2-HYDROXYMETHYLENE ETHISTERONE 95.00%
5MG
$ 505.41

Total 6 raw suppliers

Chemical Property of 17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one Edit

Chemical Property:

Boiling Point:499.3°Cat760mmHg
Flash Point:269.9°C
PSA：57.53000
Density:1.21g/cm³
LogP:3.93440
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:340.20384475
Heavy Atom Count:25
Complexity:738

Purity/Quality:

99.9% ^*data from raw suppliers

2-HYDROXYMETHYLENE ETHISTERONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)C(=CO)CC34C
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)/C(=C\O)/C[C@]34C

Technology Process of 17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one

There total 8 articles about 17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-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:

: 434-03-7
levonorgestrel

: 109-94-4
formic acid ethyl ester

: 2787-02-2
17α-ethenyl-17β-hydroxy-2-hydroxymethylene-4-androsten-3-one

Guidance literature:: With pyridine; sodium ethanolate; at 20 ℃; for 72h; Inert atmosphere;

Reference yield:

: 24594-68-1
3-ethoxy-17α-ethynylandrosta-3,5-dien-17β-ol-3-one

: 2787-02-2
17α-ethenyl-17β-hydroxy-2-hydroxymethylene-4-androsten-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid / tetrahydrofuran / 6 h / pH 2 - 3

2: pyridine; sodium ethanolate / 72 h / 20 °C / Inert atmosphere

With pyridine; sulfuric acid; sodium ethanolate; In tetrahydrofuran;

Reference yield:

: 63-05-8
Androstenedione

: 2787-02-2
17α-ethenyl-17β-hydroxy-2-hydroxymethylene-4-androsten-3-one

Guidance literature:: Multi-step reaction with 4 steps

1.1: toluene-4-sulfonic acid / ethanol / 6.5 h / 40 °C

1.2: 0.5 h / 5 °C

2.1: potassium hydroxide / 1.5 h / 8 °C

2.2: 3 h / 20 - 25 °C

3.1: sulfuric acid / tetrahydrofuran / 6 h / pH 2 - 3

4.1: pyridine; sodium ethanolate / 72 h / 20 °C / Inert atmosphere

With pyridine; sulfuric acid; sodium ethanolate; toluene-4-sulfonic acid; potassium hydroxide; In tetrahydrofuran; ethanol;