Piperidin-1-YL benzoate

Base Information

• Chemical Name: Piperidin-1-YL benzoate
• CAS No.: 5542-49-4
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.257
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70460874
• Nikkaji Number: J2.280.249F
• Mol file: 5542-49-4.mol

Synonyms:PIPERIDIN-1-YL BENZOATE;5542-49-4;BENZOIC ACID PIPERIDIN-1-YL ESTER;1-(Benzoyloxy)piperidine;BENZOICACIDPIPERIDIN-1-YLESTER;benzoyloxypiperidine;oxalicacid,vanadiumsalt;SCHEMBL1249246;DTXSID70460874;AKOS015966042

Chemical Property of Piperidin-1-YL benzoate

Chemical Property:

• Melting Point: 62 °C
• Boiling Point: 299.1±23.0 °C(Predicted)
• PKA: 0.05±0.20(Predicted)
• PSA: 29.54000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 2.18220
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

99%, ^*data from raw suppliers

BENZOIC ACID PIPERIDIN-1-YL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)OC(=O)C2=CC=CC=C2

Technology Process of Piperidin-1-YL benzoate

There total 8 articles about Piperidin-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: 88.0%

N-hydroxypiperidine (4801-58-5) + dibenzoyl peroxide (94-36-0) → piperidin-1-yl benzoate (5542-49-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/anie.201708693

Reference yield: 86.0%

piperidine (110-89-4) + dibenzoyl peroxide (94-36-0) → piperidin-1-yl benzoate (5542-49-4)

Guidance literature:

With dipotassium hydrogenphosphate; dicyclohexyl phthalate; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b00556

Reference yield: 75.0%

piperidine (110-89-4) + dibenzoyl peroxide (94-36-0) → N-benzoylpiperidine (776-75-0) + piperidin-1-yl benzoate (5542-49-4)

Guidance literature:

With poly-4-vinylpyridine; In tetrahydrofuran; 1.) 24 h, room temp., 2.) 2 h, reflux;

DOI:10.1055/s-1983-30410

upstream raw materials:

piperidine

diethyl ether

dibenzoyl peroxide

N-hydroxypiperidine

Downstream raw materials:

benzoic acid

piperidine

methanol

N-Benzylpiperidine

Refernces

• 1、 Bhadra, Sukalyan,Gupta, Aniket,Kumar Singh, Anupam,Rahaman, Ajijur. "Catalytic N-Acylation of Cyclic Amines by Arylglyoxylic Acids via Radical-Radical Cross-Coupling". supporting information. p. 2198 - 2202. Retrieved 2021/07/22.
• 2、 Zhang, Zhe,Zhang, Bo-Sheng,Li, Kai-Li,An, Yang,Liu, Ce,Gou, Xue-Ya,Liang, Yong-Min. "Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans". . p. 7817 - 7839. Retrieved 2020/07/16.