2-(3-Methoxyphenyl)piperidine

Base Information

• Chemical Name: 2-(3-Methoxyphenyl)piperidine
• CAS No.: 383128-22-1
• Molecular Formula: C12H17NO
• Molecular Weight: 191.26900
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10401362
• Nikkaji Number: J2.265.574D
• Mol file: 383128-22-1.mol

Synonyms:2-(3-methoxyphenyl)piperidine;383128-22-1;Piperidine, 2-(3-methoxyphenyl)-;SCHEMBL3154247;DTXSID10401362;MFCD02663592;AKOS000195382;AKOS022142373;SB41624;BS-37815;2-(3-Methoxyphenyl)piperidine, AldrichCPR;FT-0683375;Y11288;EN300-1153274

Chemical Property of 2-(3-Methoxyphenyl)piperidine

Chemical Property:

• Vapor Pressure: 0.0013mmHg at 25°C
• Boiling Point: 298.1oC at 760 mmHg
• PKA: 9.69±0.10(Predicted)
• Flash Point: 120.3oC
• PSA: 21.26000
• Density: 1.003g/cm3
• LogP: 2.83860
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-methoxyphenyl)piperidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2CCCCN2

Technology Process of 2-(3-Methoxyphenyl)piperidine

There total 11 articles about 2-(3-Methoxyphenyl)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: 89.0%

(+/-)-2-(3-methoxyphenyl)-piperidine (383128-22-1) → 2-(3-methoxy-phenyl)-piperidine (383128-22-1)

Guidance literature:

With borane-ammonia complex; monoamine oxidase; In aq. phosphate buffer; for 48h; enantioselective reaction; Enzymatic reaction;

DOI:10.1002/cctc.201500822

Reference yield: 68.0%

(3-methoxyphenyl)zinc(II) bromide (181705-90-8) + tert-butyl 2-methoxypiperidine-1-carboxylate (195964-51-3) → (+/-)-2-(3-methoxyphenyl)-piperidine (383128-22-1)

Guidance literature:

With aluminium trichloride; In acetonitrile; at 0 - 20 ℃; for 0.25h;

DOI:10.1016/j.tetlet.2005.11.070

Reference yield:

6-(3-methoxyphenyl)-2,3,4,5-tetrahydropyridine (509953-50-8) → (+/-)-2-(3-methoxyphenyl)-piperidine (383128-22-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; water; at 18 - 22 ℃;

DOI:10.1021/ol035746r

upstream raw materials:

6-(3-methoxyphenyl)-2,3,4,5-tetrahydropyridine

(3-methoxyphenyl)zinc(II) bromide

tert-butyl 2-methoxypiperidine-1-carboxylate

piperidine

Refernces

• 1、 Hussain, Shahed,Leipold, Friedemann,Man, Henry,Wells, Elizabeth,France, Scott P.,Mulholland, Keith R.,Grogan, Gideon,Turner, Nicholas J.. "An (R)-imine reductase biocatalyst for the asymmetric reduction of cyclic imines". . p. 579 - 583. Retrieved 2015/03/05.
• 2、 Williams, Glynn D.,Pike, Richard A.,Wade, Charles E.,Wills, Martin. "A One-Pot Process for the Enantioselective Synthesis of Amines via Reductive Amination under Transfer Hydrogenation Conditions". . p. 4227 - 4230. Retrieved 2007/10/03.