9,10-Secocholesta-5,7,10(19)-trien-25-ol, 1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1alpha,3beta,5E,7E)-

Base Information

Chemical Name:9,10-Secocholesta-5,7,10(19)-trien-25-ol, 1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1alpha,3beta,5E,7E)-
CAS No.:140710-98-1
Molecular Formula:C39H72O3Si2
Molecular Weight:645.17
Hs Code.:
DSSTox Substance ID:DTXSID501110807
Mol file:140710-98-1.mol

Synonyms:DTXSID501110807;CS-M0962;AKOS037649833;CS-13745;9,10-Secocholesta-5,7,10(19)-trien-25-ol, 1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1alpha,3beta,5E,7E)-

Suppliers and Price of 9,10-Secocholesta-5,7,10(19)-trien-25-ol, 1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1alpha,3beta,5E,7E)-

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

ChemScene
(6R)-6-((1R,3aS,7aR)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethyl)-7a-methyloctahydro-1H-inden-1-yl)-2-methylheptan-2-ol
100mg
$ 825.00

Total 12 raw suppliers

Chemical Property of 9,10-Secocholesta-5,7,10(19)-trien-25-ol, 1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1alpha,3beta,5E,7E)-

Chemical Property:

Boiling Point:621.9±55.0 °C(Predicted)
PKA:15.32±0.29(Predicted)
PSA：38.69000
Density:0.95±0.1 g/cm3(Predicted)
LogP:11.84360
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:12
Exact Mass:644.50199922
Heavy Atom Count:44
Complexity:1070

Purity/Quality:

99%, ^*data from raw suppliers

(6R)-6-((1R,3aS,7aR)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethyl)-7a-methyloctahydro-1H-inden-1-yl)-2-methylheptan-2-ol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
Isomeric SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C

Technology Process of 9,10-Secocholesta-5,7,10(19)-trien-25-ol, 1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1alpha,3beta,5E,7E)-

There total 11 articles about 9,10-Secocholesta-5,7,10(19)-trien-25-ol, 1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1alpha,3beta,5E,7E)- 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: 82.0%

: 75-16-1
methylmagnesium bromide

: 169900-32-7
ethyl (1S),3(R)-bis<(tert-butyldimethylsilyl)oxy>-9,10-seco-26,27-bisnorcholesta-5(E),7(E),10(19)-trien-25-oate

: 140710-98-1
(1S),3(R)-bis<(tert-butyldimethylsilyl)oxy>-9,10-secocholesta-5(E),7(E),10(19)-trien-25-ol

Guidance literature:: In tetrahydrofuran; 1.) 0 deg C, 15 min, 2.) room temperature, 3 h;
DOI:10.1021/jo00125a051

Reference yield: 82.0%

: 917-64-6
methyl magnesium iodide

: C₃₈H₆₈O₄Si₂

: 140710-98-1
(1S),3(R)-bis<(tert-butyldimethylsilyl)oxy>-9,10-secocholesta-5(E),7(E),10(19)-trien-25-ol

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃; for 3h; Inert atmosphere;

Reference yield:

: 147125-06-2
(1S),3(R)-bis<(tert-butyldimethylsilyl)oxy>-20(S)-(iodomethyl)-9,10-secopregna-5(E),7(E),10(19)-triene

: 140710-98-1
(1S),3(R)-bis<(tert-butyldimethylsilyl)oxy>-9,10-secocholesta-5(E),7(E),10(19)-trien-25-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / Zn, NiCl₂*6H₂O, I₂ / pyridine / 0.75 h / Ambient temperature

2: 82 percent / tetrahydrofuran / 1.) 0 deg C, 15 min, 2.) room temperature, 3 h

With iodine; nickel dichloride; zinc; In tetrahydrofuran; pyridine;
DOI:10.1021/jo00125a051