Tert-butyl 4-hydroxy-4-phenylpiperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-hydroxy-4-phenylpiperidine-1-carboxylate
• CAS No.: 172734-33-7
• Molecular Formula: C16H23NO3
• Molecular Weight: 277.364
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00459554
• Nikkaji Number: J3.041.778J
• Wikidata: Q82283349
• Mol file: 172734-33-7.mol

Synonyms:TERT-BUTYL 4-HYDROXY-4-PHENYLPIPERIDINE-1-CARBOXYLATE;172734-33-7;1-t-butoxycarbonyl-4-hydroxy-4-phenylpiperidine;1-N-BOC-4-HYDROXY-4-PHENYLPIPERIDINE;SCHEMBL240381;DTXSID00459554;PBWQGUWSIBXMSG-UHFFFAOYSA-N;CS-D0003;XGA73433;1-Boc-4-hydroxy-4-phenylpiperidine;MFCD09953388;AKOS015949476;SB15691;AM803334;AS-62793;FT-0685014;EN300-111544;1-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-ol;4-Hydroxy-4-phenyl-1-tert-butoxycarbonylpiperidine;t-Butyl 4-hydroxy-4-phenylpiperidine-1-carboxylate;tert-butyl4-hydroxy-4-phenylpiperidine-1-carboxylate;W-206036;4-Hydroxy-4-phenylpiperidine-1-carboxilic acid tert-butyl ester;4-Hydroxy-4-phenylpiperidine-1-carboxylic acid tert-butyl ester;4-Hydroxy-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 4-hydroxy-4-phenylpiperidine-1-carboxylate

Chemical Property:

• PSA: 49.77000
• LogP: 2.84300
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 277.16779360
• Heavy Atom Count: 20
• Complexity: 334

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl4-Hydroxy-4-phenylpiperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)O

Technology Process of Tert-butyl 4-hydroxy-4-phenylpiperidine-1-carboxylate

There total 18 articles about Tert-butyl 4-hydroxy-4-phenylpiperidine-1-carboxylate 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: 100.0%

4-hydroxy-4-phenylpiperidin (40807-61-2) + di-tert-butyl dicarbonate (24424-99-5) → 4-hydroxy-4-phenylpiperidine-1-carboxylic acid tert-butyl ester (172734-33-7)

Guidance literature:

In dichloromethane; at 20 ℃; for 5h;

Reference yield: 100.0%

→ 4-hydroxy-4-phenylpiperidine-1-carboxylic acid tert-butyl ester (172734-33-7)

Guidance literature:

Reference yield: 98.0%

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5123-13-7) + N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 4-hydroxy-4-phenylpiperidine-1-carboxylic acid tert-butyl ester (172734-33-7)

Guidance literature:

With C₆₂H₇₄Cl₂N₄Pd₂S₂; potassium carbonate; In toluene; at 120 ℃; for 18h; Inert atmosphere; Sealed tube;

DOI:10.1002/cctc.202001464

upstream raw materials:

N-tert-butyloxycarbonylpiperidin-4-one

N-(t-butyloxycarbonyl)-4-phenylpiperidine-4-carboxylic acid

di-tert-butyl dicarbonate

4-cyano-4-phenylpiperidine hydrochloride

Downstream raw materials:

4-methoxy-4-(2-methoxyphenyl)-piperidine

p-phenylpyridine

2,4-diphenylpyridine

4‐fluoro‐4‐phenylpiperidine

Refernces

• 1、 Cseke, Anna,Decker, Simon,Ecker, Gerhard F.,Jain, Sankalp,Schwarz, Theresa,Urban, Ernst,Vogl, Kerstin. "Propafenone analogue with additional H-bond acceptor group shows increased inhibitory activity on P-glycoprotein". . . Retrieved 2020/01/21.
• 2、 -. "COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS". Paragraph 0276; 0279; 0284-0285. . Retrieved 2021/01/23.