1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester
• CAS No.: 877399-73-0
• Molecular Formula: C13H20IN3O2
• Molecular Weight: 377.225
• Hs Code.: 2933990090
• Mol file: 877399-73-0.mol

Synonyms:tert-butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate;

Chemical Property of 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 97 °C
• Boiling Point: 430.596oC at 760 mmHg
• PKA: 1.08±0.19(Predicted)
• Flash Point: 214.217oC
• PSA: 47.36000
• Density: 1.603g/cm3
• LogP: 2.99760
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive

Purity/Quality:

99.0%, High purity. ^*data from raw suppliers

tert-Butyl4-(4-Iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester

There total 9 articles about 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester 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: 92.0%

4-iodopyrazole (3469-69-0) + tert-butyl 4-(tosyloxy)piperidin-1-carboxylate (118811-07-7) → tert-butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate (877399-73-0)

Guidance literature:

With caesium carbonate; In N,N-dimethyl acetamide; at 100 ℃; for 1h; Inert atmosphere;

Reference yield: 70.2%

4-iodopyrazole (3469-69-0) + 1-(tert-butoxycarbonyl)piperidin-4-yl methanesulfonate (141699-59-4) → tert-butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate (877399-73-0)

Guidance literature:

4-iodopyrazole; With sodium hydride; In dichloromethane; mineral oil; at 0 ℃; for 1h;

1-(tert-butoxycarbonyl)piperidin-4-yl methanesulfonate; In dichloromethane; mineral oil; at 100 ℃; for 15h;

Reference yield: 68.0%

4-iodopyrazole (3469-69-0) + t-butyl 4-hydroxy piperidine-1-carboxylate (109384-19-2) → tert-butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate (877399-73-0)

Guidance literature:

t-butyl 4-hydroxy piperidine-1-carboxylate; With dmap; methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 20 ℃; for 5h;

4-iodopyrazole; With sodium hydride; In ethyl acetate; N,N-dimethyl-formamide; at 20 - 100 ℃; for 14h;

upstream raw materials:

4-iodopyrazole

1-(tert-butoxycarbonyl)piperidin-4-yl methanesulfonate

t-butyl 4-hydroxy piperidine-1-carboxylate

4-methanesulfonylpiperidine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate

(1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1H-pyrazol-4-yl)boronic acid

3-((2,5-difluorophenyl)ethynyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

Refernces

• 1、 -. "Hydrochloride of [1, 2, 4] triazine and [6,1-a] isoindole compound and application thereof". Paragraph 0049-0050; 0059-0063. . Retrieved 2020/03/13.
• 2、 -. "Preparation method of tert-butyl 4-(4-halo-1H-pyrazol-1-yl)piperidin-1-carboxylate". . . Retrieved 2020/04/17.