19-Iodocholesterol 3-ethyl ether

Base Information

Chemical Name:19-Iodocholesterol 3-ethyl ether
CAS No.:66277-12-1
Molecular Formula:C₂₉H₄₉IO
Molecular Weight:540.612
Hs Code.:
DSSTox Substance ID:DTXSID20984813
Wikidata:Q82972145

Synonyms:19-iodocholesterol 3-ethyl ether;19-iodocholesterol 3-ethyl ether, (3beta)-isomer, 125I-labeled

Suppliers and Price of 19-Iodocholesterol 3-ethyl ether

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
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price

Total 1 raw suppliers

Chemical Property of 19-Iodocholesterol 3-ethyl ether

Chemical Property:

Vapor Pressure:4.42E-11mmHg at 25°C
Boiling Point:537.5°Cat760mmHg
Flash Point:278.9°C
PSA：9.23000
Density:1.19g/cm³
LogP:8.84800
XLogP3:10.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:8
Exact Mass:540.28281
Heavy Atom Count:31
Complexity:641

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)CI
Isomeric SMILES:CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)CI

Technology Process of 19-Iodocholesterol 3-ethyl ether

There total 2 articles about 19-Iodocholesterol 3-ethyl ether 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: 48.0%

: 37414-03-2
19-iodo-5-cholesten-3β-ol

: 122-51-0
orthoformic acid triethyl ester

: 66277-12-1
3β-ethoxy-19-iodo-5-cholestene

Guidance literature:: With perchloric acid; for 0.166667h;
DOI:10.1016/S0039-128X(81)80013-X

Reference yield:

: 4561-90-4
19-iodocholest-5-en-3β-ol acetate

: 66277-12-1
3β-ethoxy-19-iodo-5-cholestene

Guidance literature:: Multi-step reaction with 2 steps

1: 61 percent / NaOH / H₂O; methanol; dioxane / 2 h / Ambient temperature

2: 48 percent / 70percent HClO₄ / 0.17 h

With sodium hydroxide; perchloric acid; In 1,4-dioxane; methanol; water;
DOI:10.1016/S0039-128X(81)80013-X