5-tert-butyl-4-({6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-(1-methylethyl)-4-oxo-3,4-dihydro-2H-pyran-5-yl}sulfanyl)-2-methylphenyl 4-cyanobenzenesulfonate

Base Information

Chemical Name:5-tert-butyl-4-({6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-(1-methylethyl)-4-oxo-3,4-dihydro-2H-pyran-5-yl}sulfanyl)-2-methylphenyl 4-cyanobenzenesulfonate
CAS No.:263842-84-8
Molecular Formula:C₃₄H₃₇NO₇S₂
Molecular Weight:635.802
Hs Code.:

5-tert-butyl-4-({6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-(1-methylethyl)-4-oxo-3,4-dihydro-2H-pyran-5-yl}sulfanyl)-2-methylphenyl 4-cyanobenzenesulfonate

Synonyms:(+-)-Benzenesulfonic acid,4-cyano-,4-((5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl ester;Dihydropyran-2-one deriv. 39;5-tert-butyl-4-({6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-(propan-2-yl)-3,4-dihydro-2h-pyran-5-yl}sulfanyl)-2-methylphenyl 4-cyanobenzenesulfonate;

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Chemical Property of 5-tert-butyl-4-({6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-(1-methylethyl)-4-oxo-3,4-dihydro-2H-pyran-5-yl}sulfanyl)-2-methylphenyl 4-cyanobenzenesulfonate

Chemical Property:

Vapor Pressure:1.51E-23mmHg at 25°C
Boiling Point:748.7°C at 760 mmHg
PKA:4.50±1.00(Predicted)
Flash Point:406.6°C
PSA：167.60000
Density:1.34g/cm³
LogP:8.55448

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of 5-tert-butyl-4-({6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-(1-methylethyl)-4-oxo-3,4-dihydro-2H-pyran-5-yl}sulfanyl)-2-methylphenyl 4-cyanobenzenesulfonate

There total 8 articles about 5-tert-butyl-4-({6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-(1-methylethyl)-4-oxo-3,4-dihydro-2H-pyran-5-yl}sulfanyl)-2-methylphenyl 4-cyanobenzenesulfonate 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: 80.0%

: 207736-87-6
4-hydroxy-6-[2-(4-hydroxy-phenyl)ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one

: 263843-23-8
4-cyanobenzenesulfonic acid 5-tert-butyl-2-methyl-4-(toluene-4-sulfonylsulfanyl)-phenyl ester

: 263842-84-8
4-cyano-benzenesulfonic acid 5-tert-butyl-4-{4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methyl-phenyl ester

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;
DOI:10.1021/jm990281p

Reference yield:

: 62559-08-4
4-tert-butyl-2-nitrotoluene

: 263842-84-8
4-cyano-benzenesulfonic acid 5-tert-butyl-4-{4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methyl-phenyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: H₂ / Raney Ni / methanol / 15 h / 35 °C / 2689.24 Torr

2: aq. NaNO₂; aq. 15percent H₂SO₄ / 0.5 h / 70 °C

3: Br₂; NaBr / methanol / 0.5 h / 5 - 40 °C

4: 79 percent / dithiothreitol; 0.02M KH₂PO₄ / ethanol / 4 h / Heating

5: 91 percent / pyridine / CCl₄

6: 78 percent / Et₃N / diethyl ether

7: 80 percent / K₂CO₃ / dimethylformamide / 20 °C

With pyridine; potassium dihydrogenphosphate; hydrogen; bromine; potassium carbonate; triethylamine; sodium bromide; sodium nitrite; diothiothreitol; nickel; In methanol; tetrachloromethane; diethyl ether; ethanol; N,N-dimethyl-formamide; 1: Reduction / 2: Diazotization / 3: Substitution / 4: Hydrolysis / 5: Tosylation / 6: Sulfonylation / 7: Substitution;
DOI:10.1021/jm990281p

Reference yield:

: 5781-02-2
5-(tert-butyl)-2-methylphenol

: 263842-84-8
4-cyano-benzenesulfonic acid 5-tert-butyl-4-{4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methyl-phenyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: Br₂; NaBr / methanol / 0.5 h / 5 - 40 °C

2: 79 percent / dithiothreitol; 0.02M KH₂PO₄ / ethanol / 4 h / Heating

3: 91 percent / pyridine / CCl₄

4: 78 percent / Et₃N / diethyl ether

5: 80 percent / K₂CO₃ / dimethylformamide / 20 °C

With pyridine; potassium dihydrogenphosphate; bromine; potassium carbonate; triethylamine; sodium bromide; diothiothreitol; In methanol; tetrachloromethane; diethyl ether; ethanol; N,N-dimethyl-formamide; 1: Substitution / 2: Hydrolysis / 3: Tosylation / 4: Sulfonylation / 5: Substitution;
DOI:10.1021/jm990281p