4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone

Base Information

• Chemical Name: 4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone
• CAS No.: 1227611-94-0
• Molecular Formula: C₉H₁₁IN₂O
• Molecular Weight: 290.104
• Mol file: 1227611-94-0.mol

Synonyms:4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone

Chemical Property of 4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone

Chemical Property:

• Boiling Point: 389.1±32.0 °C(Predicted)
• Density: 1.92±0.1 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Iodopyrazol-1-yl)-cyclohexanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone

There total 4 articles about 4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone 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: 98.0%

4-iodo-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazole (1175275-29-2) → 4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone (1227611-94-0)

Guidance literature:

With water; pyridinium p-toluenesulfonate; In acetone; at 65 ℃; for 16h;

Reference yield:

toluene-4-sulfonic acid 1,4-dioxa-spiro[4.5]dec-8-yl ester (23511-05-9) → 4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone (1227611-94-0)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide / 20 h / 100 °C

2: water; pyridinium p-toluenesulfonate / acetone / 16 h / 65 °C

With water; pyridinium p-toluenesulfonate; caesium carbonate; In N,N-dimethyl-formamide; acetone;

Reference yield:

4,4-ethylenedioxycyclohexan-1-ol (22428-87-1) → 4-(4-iodo-1H-pyrazol-1-yl)cyclohexanone (1227611-94-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine / dichloromethane / 25 °C / Cooling with ice; Inert atmosphere

2.1: sodium hydride / N,N-dimethyl-formamide / 0.58 h / Cooling with ice; Inert atmosphere

2.2: 0 °C / Heating

3.1: pyridinium p-toluenesulfonate / water; acetone / 48 h / 60 °C

With pyridinium p-toluenesulfonate; sodium hydride; triethylamine; In dichloromethane; water; N,N-dimethyl-formamide; acetone;

upstream raw materials:

4-iodo-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazole

4,4-ethylenedioxycyclohexan-1-ol

8-methylsulfonyloxy-1,4-dioxaspiro[4.5]decane

toluene-4-sulfonic acid 1,4-dioxa-spiro[4.5]dec-8-yl ester

Downstream raw materials:

trans-4-(4-{3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)-2-fluoroethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-5-methyl-1H-pyrazol-1-yl)cyclohexanol

trans-4-(4-{3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)-2-fluoroethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-5-methyl-1H-pyrazol-1-yl)cyclohexanol

1-(trans-4-{[tert-Butyl(dimethyl)silyl]oxy}cyclohexyl)-5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

1-(trans-4-{[tert-butyl(dimethyl)silyl]oxy}cyclohexyl)-5-chloro-4-iodo-1H-pyrazole