Tert-butyl 4-benzoylpiperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-benzoylpiperidine-1-carboxylate
• CAS No.: 193217-39-9
• Molecular Formula: C17H23NO3
• Molecular Weight: 289.375
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10445504
• Wikidata: Q82263938
• Mol file: 193217-39-9.mol

Synonyms:Tert-butyl 4-benzoylpiperidine-1-carboxylate;193217-39-9;1-BOC-4-BENZOYL-PIPERIDINE;TERT-BUTYL 4-BENZOYL-1-PIPERIDINECARBOXYLATE;MFCD09832216;1-Boc-4-benzoylpiperidine;SCHEMBL441012;DTXSID10445504;ITLCXSHKUNNAHG-UHFFFAOYSA-N;AMY23651;BBL101796;SC5097;STL555593;AKOS007930858;4-benzoyl-N-t-butoxylcarbonyl-piperidine;AS-54693;A4255;CS-0139737;FT-0682203;EN300-222896;J-524685;tert-butyl 4-(phenylcarbonyl)piperidine-1-carboxylate;Z736756672

Chemical Property of Tert-butyl 4-benzoylpiperidine-1-carboxylate

Chemical Property:

• Melting Point: 95-96 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 400.633 °C at 760 mmHg
• PKA: -2.25±0.40(Predicted)
• Flash Point: 196.096 °C
• PSA: 46.61000
• Density: 1.106 g/cm³
• LogP: 3.45430
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 289.16779360
• Heavy Atom Count: 21
• Complexity: 372

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl4-Benzoylpiperidine-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)C(=O)C2=CC=CC=C2

Technology Process of Tert-butyl 4-benzoylpiperidine-1-carboxylate

There total 19 articles about Tert-butyl 4-benzoylpiperidine-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: 98.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-(benzoyl)piperidine hydrochloride (25519-80-6) → 1-(t-butoxycarbonyl)-4-(benzoyl)piperidine (193217-39-9)

Guidance literature:

With potassium hydrogencarbonate; In tetrahydrofuran; water; for 1h; Heating;

DOI:10.1021/jm000228x

Reference yield: 90.0%

4-benzoylpiperidine (37586-22-4) + di-tert-butyl dicarbonate (24424-99-5) → 1-(t-butoxycarbonyl)-4-(benzoyl)piperidine (193217-39-9)

Guidance literature:

4-benzoylpiperidine; With sodium hydrogencarbonate; In water; at 20 ℃; for 0.25h;

di-tert-butyl dicarbonate; In water; at 20 ℃; for 15h;

Reference yield: 85.0%

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) + C23H34N2O5 → 1-(t-butoxycarbonyl)-4-(benzoyl)piperidine (193217-39-9)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium phosphate; 1,3-dicyclohexyl-1H-benzo[d]imidazol-3-ium chloride; In water; toluene; at 120 ℃; for 16h;

DOI:10.1021/acscatal.7b03688

upstream raw materials:

di-tert-butyl dicarbonate

4-(benzoyl)piperidine hydrochloride

4-benzoylpiperidine

tert-butyl 4-(methoxy(methyl)carbamoyl)-3-methylpiperidine-1-carboxylate

Downstream raw materials:

4-(benzoyl)piperidine hydrochloride

tert-butyl 4-(hydroxy(phenyl)-(4-(trifluoromethyl)phenyl)methyl)-piperidine-1-carboxylate

( Z )-4-[(1-phenyl)-2-(4-chlorophenyl)ethen-1-yl]piperidine

C₂₂H₂₆Cl₂N₂O₃S

Refernces

• 1、 -. "OXIME COMPOUNDS USEFUL AS T CELL ACTIVATORS". . . Retrieved 2022/01/04.
• 2、 Boit, Timothy B.,Weires, Nicholas A.,Kim, Junyong,Garg, Neil K.. "Nickel-Catalyzed Suzuki-Miyaura Coupling of Aliphatic Amides". . p. 1003 - 1008. Retrieved 2018/02/14.