4-(2-Methylphenyl)piperidine

Base Information

• Chemical Name: 4-(2-Methylphenyl)piperidine
• CAS No.: 630116-52-8
• Molecular Formula: C12H17N
• Molecular Weight: 175.274
• Hs Code.: 2933399090
• ChEMBL ID: CHEMBL2021631
• DSSTox Substance ID: DTXSID00465019
• Wikidata: Q82290654
• Mol file: 630116-52-8.mol

Synonyms:4-(2-methylphenyl)piperidine;630116-52-8;4-(o-tolyl)piperidine;4-o-tolylpiperidine;Piperidine, 4-(2-methylphenyl)-;CHEMBL2011549;4-o-tolyl-piperidine;SCHEMBL1513258;CHEMBL2021631;DTXSID00465019;ICRCMOXGEJQDSX-UHFFFAOYSA-N;BDBM50379805;MFCD05189913;AKOS000209402;SB41165;AS-45768;BL008747;BB 0253801;CS-0454357;FT-0751401;EN300-70633;F2148-1664;Z320116718

Chemical Property of 4-(2-Methylphenyl)piperidine

Chemical Property:

• PSA: 12.03000
• LogP: 2.79080
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

4-o-tolylpiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2CCNCC2

Technology Process of 4-(2-Methylphenyl)piperidine

There total 23 articles about 4-(2-Methylphenyl)piperidine 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%

tert-butyl 4-(2'-methylphenyl)piperidine-1-carboxylate (651053-90-6) → 4-(2'-methylphenyl)piperidine (630116-52-8)

Guidance literature:

With hydrogenchloride; In methanol;

DOI:10.1016/S0960-894X(98)00319-9

Reference yield: 98.0%

1,2,3,6-tetrahydro-4-(2-methylphenyl)-1-(phenylmethyl)-pyridine (821768-11-0) → 4-(2'-methylphenyl)piperidine (630116-52-8)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol; for 40h; under 3102.89 Torr;

DOI:10.1021/jm0495071

Reference yield: 81.0%

4-(2-methylphenyl)piperidine-2,6-dione (885982-06-9) → 4-(2'-methylphenyl)piperidine (630116-52-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; for 19h; Heating;

DOI:10.1016/j.bmc.2005.11.044

upstream raw materials:

tert-butyl 4-(2'-methylphenyl)piperidine-1-carboxylate

1,2,3,6-tetrahydropyridine

toluene

phenyl 4-(2'-methylphenyl)piperidine-1-carboxylate

Refernces

• 1、 Bhandare, Richie R.,Canney, Daniel J.. "Bioisosteric replacement and related analogs in the design, synthesis and evaluation of ligands for muscarinic acetylcholine receptors". . p. 361 - 375. Retrieved 2014/05/20.
• 2、 -. "LIGAND FOR VESICULAR ACETYLCHOLINE TRANSPORTER". Page/Page column 13-14. . Retrieved 2008/06/13.