4-[5-(4-methanesulfonyl-phenyl)-3-(4-nitrooxy-butyryl)-pyrazol-1-yl]-benzonitrile

Base Information

Chemical Name:4-[5-(4-methanesulfonyl-phenyl)-3-(4-nitrooxy-butyryl)-pyrazol-1-yl]-benzonitrile
CAS No.:640728-02-5
Molecular Formula:C₂₁H₁₈N₄O₆S
Molecular Weight:454.463
Hs Code.:

Synonyms:4-[5-(4-methanesulfonyl-phenyl)-3-(4-nitrooxy-butyryl)-pyrazol-1-yl]-benzonitrile

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Chemical Property of 4-[5-(4-methanesulfonyl-phenyl)-3-(4-nitrooxy-butyryl)-pyrazol-1-yl]-benzonitrile

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Technology Process of 4-[5-(4-methanesulfonyl-phenyl)-3-(4-nitrooxy-butyryl)-pyrazol-1-yl]-benzonitrile

There total 6 articles about 4-[5-(4-methanesulfonyl-phenyl)-3-(4-nitrooxy-butyryl)-pyrazol-1-yl]-benzonitrile 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: 72.0%

: 640728-01-4
4-[3-(4-hydroxy-butyryl)-5-(4-methanesulfonyl-phenyl)-pyrazol-1-yl]-benzonitrile

: 640728-02-5
4-[5-(4-methanesulfonyl-phenyl)-3-(4-nitrooxy-butyryl)-pyrazol-1-yl]-benzonitrile

Guidance literature:: With nitric acid; acetic anhydride; In chloroform; at -10 ℃;
DOI:10.1021/jm030276s

Reference yield:

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

: 640728-02-5
4-[5-(4-methanesulfonyl-phenyl)-3-(4-nitrooxy-butyryl)-pyrazol-1-yl]-benzonitrile

Guidance literature:: Multi-step reaction with 6 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

5.1: 52 percent / aq. Oxone(R) / methanol / 20 °C

6.1: 72 percent / aq. HNO₃; Ac₂O / CHCl₃ / -10 °C

With oxone; trimethylaluminum; nitric acid; sodium methylate; acetic anhydride; acetic acid; In tetrahydrofuran; methanol; hexane; dichloromethane; chloroform; toluene;
DOI:10.1021/jm030276s

Reference yield:

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

: 640728-02-5
4-[5-(4-methanesulfonyl-phenyl)-3-(4-nitrooxy-butyryl)-pyrazol-1-yl]-benzonitrile

Guidance literature:: Multi-step reaction with 5 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

4.1: 52 percent / aq. Oxone(R) / methanol / 20 °C

5.1: 72 percent / aq. HNO₃; Ac₂O / CHCl₃ / -10 °C

With oxone; trimethylaluminum; nitric acid; acetic anhydride; acetic acid; In tetrahydrofuran; methanol; hexane; dichloromethane; chloroform;
DOI:10.1021/jm030276s