4'-tert-Butyldimethylsilyl-6-hydroxy Raloxifene

Base Information

• Chemical Name: 4'-tert-Butyldimethylsilyl-6-hydroxy Raloxifene
• CAS No.: 174264-46-1
• Molecular Formula: C34H41NO4SSi
• Molecular Weight: 587.855
• DSSTox Substance ID: DTXSID00442305
• Wikidata: Q82259512
• Mol file: 174264-46-1.mol

Synonyms:4'-tert-Butyldimethylsilyl-6-hydroxy Raloxifene;174264-46-1;[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;4'-tert-Butyldimethylsilyl-6-hydroxy Raloxifene-d4;Methanone, [2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-6-hydroxybenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-;SCHEMBL2404570;DTXSID00442305;YYSIXGNGLSNJGQ-UHFFFAOYSA-N;4 inverted exclamation mark -tert-Butyldimethylsilyl-6-hydroxy Raloxifene;AKOS030254379;HY-135587;CS-0113556;FT-0664054;FT-0669332;4/'-Tert-Butyldimethylsilyl-6-hydroxy Raloxifene;[2-[4-(t-butyldimethylsilyloxy)phenyl]-6-hydroxybenzo[b] thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone;[2-[4-(t-Butyldimethylsilyloxy)phenyl]-6-hydroxybenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone;2-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]phenyl]-6-hydroxybenzo[b]thiophen-3-yl 4-[2-(1-Piperidinyl)ethoxy]phenyl Ketone

Chemical Property of 4'-tert-Butyldimethylsilyl-6-hydroxy Raloxifene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 706.195°C at 760 mmHg
• Flash Point: 380.893°C
• PSA: 87.24000
• Density: 1.15g/cm³
• LogP: 8.69150
• Storage Temp.: Refrigerator
• Solubility.: Acetone, Chloroform, Dichloromethane, Ethanol, Methanol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 587.25255650
• Heavy Atom Count: 41
• Complexity: 842

Purity/Quality:

98%Min ^*data from raw suppliers

4'-tert-Butyldimethylsilyl-6-hydroxy raloxifene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5
• Uses: Protected Raloxifene

Technology Process of 4'-tert-Butyldimethylsilyl-6-hydroxy Raloxifene

There total 4 articles about 4'-tert-Butyldimethylsilyl-6-hydroxy Raloxifene 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: 20.0%

Raloxifen (84449-90-1) + tert-butyldimethylsilyl chloride (18162-48-6) → (6-((tert-butyldimethylsilyl)oxy)-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone (174264-47-2) + 2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-6-hydroxybenzo[b]thiophen-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl ketone (174264-46-1) + {6-(tert-Butyl-dimethyl-silanyloxy)-2-[4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

Guidance literature:

With dmap; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(97)00130-3

Reference yield:

CHCl3-MeOH + ammonium chloride + Raloxifen (84449-90-1) + tert-butyldimethylsilyl chloride (18162-48-6) → 2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-6-hydroxybenzo[b]thiophen-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl ketone (174264-46-1)

Guidance literature:

With 2-(Dimethylamino)pyridine; In THF-DMF;

Reference yield:

aqueous NH4 Cl + CHCl3 -MeOH + Raloxifen (84449-90-1) + tert-butyldimethylsilyl chloride (18162-48-6) → 2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-6-hydroxybenzo[b]thiophen-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl ketone (174264-46-1)

Guidance literature:

With 2-(Dimethylamino)pyridine; In THF-DMF;

upstream raw materials:

Raloxifen

tert-butyldimethylsilyl chloride

Downstream raw materials:

2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-6-[[(trifluoromethyl)sulfonyl]oxy]benzo[b]thiophen-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl ketone

(2S,3S,4S,5R,6S)-3,4,5-Triacetoxy-6-{2-[4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-3-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-benzo[b]thiophen-6-yloxy}-tetrahydro-pyran-2-carboxylic acid methyl ester

2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thiophene-6-carboxylic acid methyl ester