1-[2-([(t-butoxycarbonyl)amino]methyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(trifluoromethyl)pyrazole

Base Information

• Chemical Name: 1-[2-([(t-butoxycarbonyl)amino]methyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(trifluoromethyl)pyrazole
• CAS No.: 228259-39-0
• Molecular Formula: C₃₀H₂₈F₄N₄O₅S
• Molecular Weight: 632.636
• Mol file: 228259-39-0.mol

Synonyms:1-[2-([(t-butoxycarbonyl)amino]methyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(trifluoromethyl)pyrazole

Chemical Property of 1-[2-([(t-butoxycarbonyl)amino]methyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(trifluoromethyl)pyrazole

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-[2-([(t-butoxycarbonyl)amino]methyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(trifluoromethyl)pyrazole

There total 10 articles about 1-[2-([(t-butoxycarbonyl)amino]methyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(trifluoromethyl)pyrazole 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:

[(2'-methylsulfonyl)-3-fluoro-[1,1']-biphen-4-yl]amine + [2-(5-chlorocarbonyl-3-trifluoromethyl-pyrazol-1-yl)-benzyl]-carbamic acid tert-butyl ester → 1-[2-([(t-butoxycarbonyl)amino]methyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(trifluoromethyl)pyrazole (228259-39-0)

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; for 20h;

DOI:10.1021/jm030212h

Reference yield:

4,4,4-trifluoro-1-(2-furanyl)-1,3-butanedione (326-90-9) → 1-[2-([(t-butoxycarbonyl)amino]methyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(trifluoromethyl)pyrazole (228259-39-0)

Guidance literature:

Multi-step reaction with 9 steps

1: 90 percent / glac. AcOH / 6 h / Heating

2: 100 percent / oxalyl chloride; DMF / CH₂Cl₂ / 4 h

3: 4.76 g / aq. NH₃ / CH₂Cl₂ / 1.5 h / 0 - 20 °C

4: 100 percent / Et₃N; trichloroacetyl chloride / CH₂Cl₂ / 1.42 h / 0 - 20 °C

5: 90 percent / cobalt chloride; sodium borohydride / dimethylformamide / 23.75 h / 0 - 20 °C

6: 76 percent / Et₃N / tetrahydrofuran / 17 h / 20 °C

7: 27 percent / KMnO₄; aq. NaH₂PO₄ / 2-methyl-propan-2-ol / 1.25 h / 60 °C

8: oxalyl chloride; DMF / CH₂Cl₂ / 1.58 h / 20 °C

9: 645 mg / DMAP / CH₂Cl₂ / 20 h / 20 °C

With dmap; ammonium hydroxide; sodium tetrahydroborate; potassium permanganate; sodium dihydrogenphosphate; cobalt chloride; oxalyl dichloride; acetic acid; triethylamine; N,N-dimethyl-formamide; trifluoroacetyl chloride; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1021/jm030212h

Reference yield:

2-hydrazino-benzoic acid (5326-27-2) → 1-[2-([(t-butoxycarbonyl)amino]methyl)phenyl]-5-[(3-fluoro-2'-methylsulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-3-(trifluoromethyl)pyrazole (228259-39-0)

Guidance literature:

Multi-step reaction with 9 steps

1: 90 percent / glac. AcOH / 6 h / Heating

2: 100 percent / oxalyl chloride; DMF / CH₂Cl₂ / 4 h

3: 4.76 g / aq. NH₃ / CH₂Cl₂ / 1.5 h / 0 - 20 °C

4: 100 percent / Et₃N; trichloroacetyl chloride / CH₂Cl₂ / 1.42 h / 0 - 20 °C

5: 90 percent / cobalt chloride; sodium borohydride / dimethylformamide / 23.75 h / 0 - 20 °C

6: 76 percent / Et₃N / tetrahydrofuran / 17 h / 20 °C

7: 27 percent / KMnO₄; aq. NaH₂PO₄ / 2-methyl-propan-2-ol / 1.25 h / 60 °C

8: oxalyl chloride; DMF / CH₂Cl₂ / 1.58 h / 20 °C

9: 645 mg / DMAP / CH₂Cl₂ / 20 h / 20 °C

With dmap; ammonium hydroxide; sodium tetrahydroborate; potassium permanganate; sodium dihydrogenphosphate; cobalt chloride; oxalyl dichloride; acetic acid; triethylamine; N,N-dimethyl-formamide; trifluoroacetyl chloride; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1021/jm030212h

upstream raw materials:

4,4,4-trifluoro-1-(2-furanyl)-1,3-butanedione

2-hydrazino-benzoic acid

2-[5-(2-furyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile

2-[5-(2-furyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzylamine