Benzonitrile, 4-[3-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-oxobutyl]-5-[4-(methylthio )phenyl]-1H-pyrazol-1-yl]-

Base Information

Chemical Name:Benzonitrile, 4-[3-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-oxobutyl]-5-[4-(methylthio )phenyl]-1H-pyrazol-1-yl]-
CAS No.:640728-00-3
Molecular Formula:C27H33N3O2SSi
Molecular Weight:491.72000
Hs Code.:

Synonyms:4-(5-(4-Methylthiophenyl)-3-(4-(1,1,2,2-tetramethyl-1-silapropoxy)butanoyl)pyrazolyl)-benzenecarbonitrile;4-[3-[4-(tert-Butyl-dimethyl-silanyloxy)-butyryl]-5-(4-methylsulfanyl-phenyl)-pyrazol-1-yl]-benzonitrile;4-(5-(4-Methylthiophenyl)-3-(4-(1,1,2,2-tetramethyl-1-silapropoxy)butanoyl)pyrazolyl) benzenecarbonitrile;

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzonitrile, 4-[3-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-oxobutyl]-5-[4-(methylthio )phenyl]-1H-pyrazol-1-yl]-

Chemical Property:

PSA：93.21000
LogP:7.11758

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 4-[3-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-oxobutyl]-5-[4-(methylthio )phenyl]-1H-pyrazol-1-yl]-

There total 5 articles about Benzonitrile, 4-[3-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-oxobutyl]-5-[4-(methylthio )phenyl]-1H-pyrazol-1-yl]- 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: 73.0%

: <1-<(tert-butyldimethylsilyl)oxy>-3-propyl> magnesium bromide

: 640727-99-7
(1-(4-cyanophenyl)-5-(4-methylthiophenyl)pyrazol-3-yl)-N-methoxy-N-methylcarboxamide

: 640728-00-3
1-(1-(4-cyanophenyl)-5-(4-methylthiophenyl)pyrazol-3-yl)-4-(1,1,2,2-tetramethyl-1-silapropoxy)butan-1-one

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1021/jm030276s

Reference yield:

: 1778-09-2
4-(Methylthio)acetophenone

: 640728-00-3
1-(1-(4-cyanophenyl)-5-(4-methylthiophenyl)pyrazol-3-yl)-4-(1,1,2,2-tetramethyl-1-silapropoxy)butan-1-one

Guidance literature:: Multi-step reaction with 4 steps

1.1: 79 percent / sodium methoxide / toluene / 2 h / 20 °C

2.1: 76 percent / acetic acid / 70 °C

3.1: trimethylaluminum / hexane; CH₂Cl₂ / 0 - 20 °C

3.2: 94 percent / hexane; CH₂Cl₂ / 20 °C

4.1: 73 percent / tetrahydrofuran / 0 - 20 °C

With trimethylaluminum; sodium methylate; acetic acid; In tetrahydrofuran; hexane; dichloromethane; toluene;
DOI:10.1021/jm030276s

Reference yield:

: 346684-15-9
methyl (2Z)-2-hydroxy-4-(4-methylthiophenyl)-4-oxobut-2-enoate

: 640728-00-3
1-(1-(4-cyanophenyl)-5-(4-methylthiophenyl)pyrazol-3-yl)-4-(1,1,2,2-tetramethyl-1-silapropoxy)butan-1-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: 76 percent / acetic acid / 70 °C

2.1: trimethylaluminum / hexane; CH₂Cl₂ / 0 - 20 °C

2.2: 94 percent / hexane; CH₂Cl₂ / 20 °C

3.1: 73 percent / tetrahydrofuran / 0 - 20 °C

With trimethylaluminum; acetic acid; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1021/jm030276s