1-Benzylpiperidine

Base Information

• Chemical Name: 1-Benzylpiperidine
• CAS No.: 2905-56-8
• Molecular Formula: C12H17N
• Molecular Weight: 175.274
• Hs Code.: 2933399090
• European Community (EC) Number: 220-809-4
• UNII: 7HZE16210B
• DSSTox Substance ID: DTXSID80183289
• Nikkaji Number: J80.591B
• Wikidata: Q27268324
• ChEMBL ID: CHEMBL1195764
• Mol file: 2905-56-8.mol

Synonyms:1-benzylpiperidine;1-benzylpiperidine hydrochloride;N-benzylpiperidine

Chemical Property of 1-Benzylpiperidine

Chemical Property:

• Vapor Pressure: 0.0269mmHg at 25°C
• Melting Point: 178-179 °C
• Refractive Index: 1.5260
• Boiling Point: 246.586 °C at 760 mmHg
• PKA: 9.02±0.10(Predicted)
• Flash Point: 94.01 °C
• PSA: 3.24000
• Density: 0.996 g/cm³
• LogP: 2.61040
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

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

1-Benzylpiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC2=CC=CC=C2

Technology Process of 1-Benzylpiperidine

There total 149 articles about 1-Benzylpiperidine 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%

1,1'-benzylidenedipiperidine (2538-76-3) → N-Benzylpiperidine (2905-56-8)

Guidance literature:

With hydrogen; [Rh(1,2-bis(diphenylphosphanyl)butane)(COD)2]BF₄; In tetrahydrofuran; at 20 ℃; for 30h; under 37503.8 Torr;

DOI:10.1002/1615-4169(200202)344:2<200::AID-ADSC200>3.0.CO;2-4

Reference yield: 100.0%

1-(methoxy(phenyl)methyl)piperidine (2238-12-2) → N-Benzylpiperidine (2905-56-8)

Guidance literature:

With hydrogen; [Rh(1,2-bis(diphenylphosphanyl)butane)(COD)2]BF₄; In tetrahydrofuran; at 20 ℃; for 7h; under 37503.8 Torr;

DOI:10.1002/1615-4169(200202)344:2<200::AID-ADSC200>3.0.CO;2-4

Reference yield: 95.0%

N-benzyl-2-piperidinone (4783-65-7) → N-Benzylpiperidine (2905-56-8)

Guidance literature:

With sodium tetrahydroborate; titanium tetrachloride; In 1,2-dimethoxyethane; for 14h; Ambient temperature;

DOI:10.1055/s-1980-29174

upstream raw materials:

piperidine

benzoic acid ethyl ester

formic acid

benzaldehyde

Downstream raw materials:

1,1'-dibenzyl-1,1'-butanediyl-bis-piperidinium; diiodide

1,1'-dibenzyl-1,1'-pentanediyl-bis-piperidinium; diiodide

benzyl 2-propenyl sulfone

N-benzyl-5-(1-benzylpiperidin-2-yl)-1,2,3,4-tetrahydropyridine

Refernces

• 1、 Katritzky, Alan R.,Musumarra, Giuseppe,Sakizadeh, Kumars. "NUCLEOPHILIC DISPLACEMENT OF N-BENZYL GROUPS: EFFECT OF PYRIDINIUM ON RATES AND MECHANISM". . p. 2701 - 2703. Retrieved 1980.
• 2、 Staple,Wagner. "-". . p. 559,572. Retrieved 1949.
• 3、 -. "Method for catalyzing hydrodesulfurization of thioamide derivative". Paragraph 0019-0023. . Retrieved 2021/07/09.
• 4、 Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul. "Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates". supporting information. p. 5022 - 5037. Retrieved 2021/05/04.