1-Benzoylpiperidine

Base Information

• Chemical Name: 1-Benzoylpiperidine
• CAS No.: 776-75-0
• Molecular Formula: C12H15NO
• Molecular Weight: 189.257
• European Community (EC) Number: 212-280-3
• NSC Number: 26344,1992
• UNII: B678L9IQ0Y
• DSSTox Substance ID: DTXSID80228265
• Nikkaji Number: J9.677F
• Wikidata: Q27274423
• ChEMBL ID: CHEMBL1897277
• Mol file: 776-75-0.mol

Synonyms:N-benzoylpiperidine

Chemical Property of 1-Benzoylpiperidine

Chemical Property:

• Vapor Pressure: 7.18E-10mmHg at 25°C
• Melting Point: 48-50 °C
• Refractive Index: 1.621
• Boiling Point: 320.5 °C at 760 mmHg
• Flash Point: 145 °C
• PSA: 20.31000
• Density: 1.084 g/cm³
• LogP: 2.25060
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Benzoylpiperidine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Benzoylpiperidine

There total 243 articles about 1-Benzoylpiperidine 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%

piperidine (110-89-4) + benzaldehyde (100-52-7) → N-benzoylpiperidine (776-75-0)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 70 ℃; Reagent/catalyst; Solvent; Temperature; Concentration;

DOI:10.1016/j.catcom.2014.09.044

Reference yield: 96.0%

piperidine (110-89-4) + benzyl alcohol (100-51-6,185532-71-2) → N-benzoylpiperidine (776-75-0)

Guidance literature:

With 1.9 mol% Au/HT; potassium tert-butylate; In o-xylene; at 90 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.04.048

Reference yield: 95.0%

piperidine (110-89-4) + benzamide (55-21-0,27208-38-4) → N-benzoylpiperidine (776-75-0)

Guidance literature:

With Ce(III) immobilised on an aminated epichlorohydrin-activated agarose matrix; at 140 ℃; Green chemistry;

DOI:10.1515/chempap-2015-0168

upstream raw materials:

piperidine

benzoic acid ethyl ester

Ethyl benzoyl carbonate

sodium ethanolate

Downstream raw materials:

1-benzoyl-2-(3-nitrobenzylidene)hydrazine

N-[(R)-1-((R)-5,5-dimethyl-2,5-dihydro-thiazol-2-yl)-2-oxo-2-piperidin-1-yl-ethyl]-2-phenoxy-acetamide

(2-methoxypiperidin-1-yl)(phenyl)methanone

(E)-β-phenylthio-α-piperidinostyrene

Refernces

• 1、 Letavic, Michael A.,Ly, Kiev S.. "Microwave assisted, palladium catalyzed aminocarbonylations of heteroaromatic bromides using solid Mo(CO)6 as the carbon monoxide source". . p. 2339 - 2343. Retrieved 2007.
• 2、 Chen, Cheng,Cheng, Hua,Du, Min-Chen,Qian, Liang,Qin, Xin,Sang, Wei,Yao, Wei-Zhong,Yuan, Ye,Zhang, Rui. "A practical and sustainable protocol for direct amidation of unactivated esters under transition-metal-free and solvent-free conditions". supporting information. p. 3972 - 3982. Retrieved 2021/06/17.
• 3、 Azarkhosh, Zahra,Heydari, Akbar,Karimi, Meghdad,Mahjoub, Alireza,Mohebali, Haleh,Sadeghi, Samira,Safarifard, Vahid. "Fluorinated solvent-assisted photocatalytic aerobic oxidative amidation of alcoholsviavisible-light-mediated HKUST-1/Cs-POMoW catalysis". supporting information. p. 14024 - 14035. Retrieved 2021/08/16.