17-(2-Iodoethynyl)androsta-4,6-dien-17-ol-3-one

Base Information

Chemical Name:17-(2-Iodoethynyl)androsta-4,6-dien-17-ol-3-one
CAS No.:145430-54-2
Molecular Formula:C₂₁H₂₅IO₂
Molecular Weight:436.333
Hs Code.:
DSSTox Substance ID:DTXSID50163018
Wikidata:Q83031851
Mol file:145430-54-2.mol

Synonyms:17-(2-iodoethynyl)androsta-4,6-dien-17-ol-3-one;17-IEY-ADOO;17alpha-(2-iodoethynyl)androsta-4,6-dien-17beta-ol-3-one

Suppliers and Price of 17-(2-Iodoethynyl)androsta-4,6-dien-17-ol-3-one

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 2 raw suppliers

Chemical Property of 17-(2-Iodoethynyl)androsta-4,6-dien-17-ol-3-one

Chemical Property:

Vapor Pressure:1.54E-13mmHg at 25°C
Boiling Point:532°Cat760mmHg
Flash Point:275.5°C
PSA：37.30000
Density:1.52g/cm³
LogP:4.42130
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:436.08993
Heavy Atom Count:24
Complexity:723

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(C#CI)O)C
Isomeric SMILES:C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#CI)O)C

Technology Process of 17-(2-Iodoethynyl)androsta-4,6-dien-17-ol-3-one

There total 5 articles about 17-(2-Iodoethynyl)androsta-4,6-dien-17-ol-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: 50.0%

: 2668-77-1
17α-ethynylandrosta-4,6-dien-17β-ol-3-one

: 145430-54-2
17α-iodoethynylandrosta-4,6-dien-17β-ol-3-one

Guidance literature:: With N-iodo-succinimide; silver nitrate; In acetone; for 1h;
DOI:10.1016/0039-128X(92)90027-7

Reference yield: 38.0%

: 15505-87-0
17β-Hydroxy-17α-iodethinyl-4-androsten-3-on

: 145430-54-2
17α-iodoethynylandrosta-4,6-dien-17β-ol-3-one

Guidance literature:: With chloranil; In tert-butyl alcohol; for 18h; Heating;
DOI:10.1016/0039-128X(92)90027-7

Reference yield:

: 434-03-7
levonorgestrel

: 145430-54-2
17α-iodoethynylandrosta-4,6-dien-17β-ol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / N-iodosuccinimide, AgNO₃ / acetone / 1 h / Ambient temperature

2: 38 percent / chloranil / 2-methyl-propan-2-ol / 18 h / Heating

With N-iodo-succinimide; chloranil; silver nitrate; In acetone; tert-butyl alcohol;
DOI:10.1016/0039-128X(92)90027-7