19-Iodocholesterol 3-methyl ether

Base Information

Chemical Name:19-Iodocholesterol 3-methyl ether
CAS No.:66277-11-0
Molecular Formula:C28H47IO
Molecular Weight:526.5766
Hs Code.:
DSSTox Substance ID:DTXSID60984812
Wikidata:Q82972144
Mol file:66277-11-0.mol

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

Suppliers and Price of 19-Iodocholesterol 3-methyl 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
Packaging
price

Total 3 raw suppliers

Chemical Property of 19-Iodocholesterol 3-methyl ether

Chemical Property:

Vapor Pressure:1.29E-10mmHg at 25°C
Boiling Point:525.7°Cat760mmHg
Flash Point:271.7°C
PSA：9.23000
Density:1.2g/cm³
LogP:8.45790
XLogP3:9.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:526.26716
Heavy Atom Count:30
Complexity:626

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC)CI)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC)CI)C

Technology Process of 19-Iodocholesterol 3-methyl ether

There total 7 articles about 19-Iodocholesterol 3-methyl 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: 60.0%

: 70240-77-6
3β-methoxy-19-tosyloxy-5-cholestene

: 66277-11-0
19-iodo-3β-methoxy-5-cholestene

Guidance literature:: With sodium iodide; In isopropyl alcohol; for 4h; Heating;
DOI:10.1016/S0039-128X(81)80013-X

Reference yield:

: 1174-92-1
cholesteryl methyl ether

: 66277-11-0
19-iodo-3β-methoxy-5-cholestene

Guidance literature:: Multi-step reaction with 5 steps

1: 25 percent / N-bromoacetamide, 70percent HClO₄ / dioxane; H₂O / 3 h / Ambient temperature

2: 65 percent / Pb(OAc)4, CaCO₃, I₂ / cyclohexane / 1 h / Heating

3: 64 percent / glacial AcOH, Zn / H₂O / 0.67 h / 45 - 50 °C

4: 75 percent / pyridine / 1) 5 deg C, 2) r.t., 5 d

5: 60 percent / NaI / propan-2-ol / 4 h / Heating

With lead(IV) acetate; perchloric acid; iodine; acetic acid; calcium carbonate; sodium iodide; zinc; N-bromoacetamide; In 1,4-dioxane; pyridine; cyclohexane; water; isopropyl alcohol;
DOI:10.1016/S0039-128X(81)80013-X

Reference yield:

: 21072-63-9
cholest-5-ene-3β,19-diol 3-methyl ether

: 66277-11-0
19-iodo-3β-methoxy-5-cholestene

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / pyridine / 1) 5 deg C, 2) r.t., 5 d

2: 60 percent / NaI / propan-2-ol / 4 h / Heating

With sodium iodide; In pyridine; isopropyl alcohol;
DOI:10.1016/S0039-128X(81)80013-X