methyl 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoate

Base Information

• Chemical Name: methyl 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoate
• CAS No.: 1048668-71-8
• Molecular Formula: C₂₆H₃₃N₃O₃
• Molecular Weight: 435.566
• Mol file: 1048668-71-8.mol

Synonyms:methyl 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoate

Chemical Property of methyl 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoate

There total 7 articles about methyl 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoate 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: 71.3%

[4-(methoxycarbonyl)phenyl]hydrazine hydrochloride (6296-89-5) + (2)-N-(2-adamantyl)-2-(dimethylaminomethylidene)-4,4-dimethyl-3-oxo-pentanamide → methyl 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoate (1048668-71-8)

Guidance literature:

With acetic acid; In ethanol; at 80 ℃; for 2h; Product distribution / selectivity;

Reference yield: 71.0%

[4-(methoxycarbonyl)phenyl]hydrazine hydrochloride (6296-89-5) + (2)-N-(2-adamantyl)-2-(dimethylaminomethylidene)-4,4-dimethyl-3-oxo-pentanamide (1150624-07-9) → methyl 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoate (1048668-71-8)

Guidance literature:

In methanol; at 65 - 70 ℃; for 3h; Inert atmosphere;

DOI:10.1021/op5001463

Reference yield:

N-(2-adamantyl)-4,4-dimethyl-3-oxo-pentanamide (1048669-63-1) → methyl 4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoate (1048668-71-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,4-dioxane / 2 h / 95 - 100 °C / Inert atmosphere

2: methanol / 3 h / 65 - 70 °C / Inert atmosphere

In 1,4-dioxane; methanol;

DOI:10.1021/op5001463

upstream raw materials:

[4-(methoxycarbonyl)phenyl]hydrazine hydrochloride

N-(2-adamantyl)-4,4-dimethyl-3-oxo-pentanamide

⁽²⁾-N-(2-adamantyl)-2-(dimethylaminomethylidene)-4,4-dimethyl-3-oxo-pentanamide

(Tricyclo<3.3.1.1^3,7>dec-2-yl)isocyanat

Downstream raw materials:

4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]benzoic acid