1-Phenylpiperidine

Base Information

• Chemical Name: 1-Phenylpiperidine
• CAS No.: 4096-20-2
• Deprecated CAS: 1842427-59-1
• Molecular Formula: C11H15N
• Molecular Weight: 161.247
• Hs Code.: 2933399090
• European Community (EC) Number: 223-848-5
• NSC Number: 53427
• DSSTox Substance ID: DTXSID4063294
• Nikkaji Number: J224.899I
• Wikidata: Q72498264
• ChEMBL ID: CHEMBL4439365
• Mol file: 4096-20-2.mol

Synonyms:1-PHENYLPIPERIDINE;N-Phenylpiperidine;4096-20-2;Piperidine, 1-phenyl-;1-Phenyl-piperidine;phenylpiperidine;EINECS 223-848-5;MFCD00129777;NSC 53427;phenylpiperadine;N-phenylpiperdine;N-phenyl-piperidine;NSC53427;1-phenyl piperidine;N-(phenyl)piperidine;SCHEMBL93630;CHEMBL4439365;DTXSID4063294;AC7935;NSC-53427;AKOS005146029;FS-5253;AC-20742;AMY202100082;SY051417;CS-0156104;FT-0652033;P2159;A18752;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoicacid

Chemical Property of 1-Phenylpiperidine

Chemical Property:

• Vapor Pressure: 0.0141mmHg at 25°C
• Melting Point: 4.7 °C
• Refractive Index: 1.544
• Boiling Point: 258 °C at 760 mmHg
• PKA: 6.22±0.10(Predicted)
• Flash Point: 106.1 °C
• PSA: 3.24000
• Density: 0.997 g/cm³
• LogP: 2.74190
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.120449483
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

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

1-Phenylpiperidine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Phenylpiperidine

There total 155 articles about 1-Phenylpiperidine 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%

piperidine (110-89-4) + iodobenzene (591-50-4) → N-phenyl piperidine (4096-20-2)

Guidance literature:

With [Pd(N-(naphthyl)-salicylaldimine(-2H))(triphenylphosphine)]; sodium t-butanolate; at 145 ℃; for 15h;

DOI:10.1039/c5dt01564b

Reference yield: 99.0%

piperidine (110-89-4) + bromobenzene (108-86-1,52753-63-6) → N-phenyl piperidine (4096-20-2)

Guidance literature:

With water; sodium t-butanolate; In toluene; at 105 ℃; for 1h; Schlenk technique;

DOI:10.1016/j.tetlet.2015.12.020

Reference yield: 99.0%

piperidine (110-89-4) + (1R,5S)-3-phenyl-2,4-dioxa-3-borabicyclo[3.3.1]nonan-7-one → N-phenyl piperidine (4096-20-2)

Guidance literature:

In dichloromethane; at 20 ℃; for 6h; Solvent; Temperature; Molecular sieve;

DOI:10.1016/j.tetlet.2013.06.061

upstream raw materials:

TETRAHYDROPYRANE

aniline

piperidine

fluorobenzene

Downstream raw materials:

(4-(piperidin-1-yl)phenyl)methanol

bis(4-(piperidin-1-yl)phenyl)methane

(5-bromo-pentyl)-phenyl-carbamonitrile

1-methyl-1-phenylpiperidinium iodide

Refernces

• 1、 Bunnett, Brotherton. "-". . p. 832. Retrieved 1957.
• 2、 Sakurai. "-". . p. 482,485. Retrieved 1938.
• 3、 Horning,Bergstrom. "-". . p. 2110. Retrieved 1945.
• 4、 Swain, Sharada Prasanna,Shri, Om,Ravichandiran. "Iridium and bis(4-nitrophenyl)phosphoric acid catalysed amination of diol by hydrogen-borrowing methodology for the synthesis of cyclic amine: Synthesis of clopidogrel". . . Retrieved 2021/05/13.
• 5、 Ding, Zhiqiang,Nie, Nan,Chen, Tian,Meng, Lingxin,Wang, Gongshu,Chen, Zhangpei,Hu, Jianshe. "L-Proline N-oxide dihydrazides as an efficient ligand for cross-coupling reactions of aryl iodides and bromides with amines and phenols". supporting information. . Retrieved 2020/12/21.