2-(2-Methoxyphenyl)piperidine

Base Information

• Chemical Name: 2-(2-Methoxyphenyl)piperidine
• CAS No.: 118577-00-7
• Molecular Formula: C12H17NO
• Molecular Weight: 191.27
• Hs Code.: 2933399990
• European Community (EC) Number: 834-460-6
• Mol file: 118577-00-7.mol

Synonyms:2-(2-methoxyphenyl)piperidine;118577-00-7;(2S)-2-(2-methoxyphenyl)piperidine;SCHEMBL19689047;BBL020966;MFCD02663553;STK893672;AKOS000191258;AKOS016344159;SB41651;AS-47904;BB 0259660;CS-0441757;EN300-70478;F16747;Z317025274

Chemical Property of 2-(2-Methoxyphenyl)piperidine

Chemical Property:

• Boiling Point: 288.5±33.0 °C(Predicted)
• PKA: 9.81±0.10(Predicted)
• PSA: 21.26000
• Density: 1.003±0.06 g/cm3(Predicted)
• 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:

97% ^*data from raw suppliers

2-(2-Methoxyphenyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC=C1C2CCCCN2

Technology Process of 2-(2-Methoxyphenyl)piperidine

There total 6 articles about 2-(2-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: 42.0%

2-(2-(2-methoxyphenyl)piperidin-1-yl)pyridine (1449484-87-0) → (+/-)-2-(2-methoxyphenyl)-piperidine (118577-00-7)

Guidance literature:

2-(2-(2-methoxyphenyl)piperidin-1-yl)pyridine; With hydrogenchloride; platinum on carbon; hydrogen; In ethanol; water; at 20 ℃; Inert atmosphere;

With sodium tetrahydroborate; In methanol; ethanol; water; at 0 ℃; for 0.25h;

DOI:10.1021/jo401521y

Reference yield:

6-(2-methoxy-phenyl)-2,3,4,5-tetrahydro-pyridine (118577-14-3) → (+/-)-2-(2-methoxyphenyl)-piperidine (118577-00-7)

Guidance literature:

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

DOI:10.1021/ol035746r

Reference yield:

piperidin-2-one (675-20-7) → (+/-)-2-(2-methoxyphenyl)-piperidine (118577-00-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 90 percent / n-BuLi / CH₂Cl₂ / -78 - 20 °C

2.1: Mg; I₂ / tetrahydrofuran / 1 h / Heating

2.2: 41 percent / tetrahydrofuran / -70 - 20 °C

3.1: TFA / 2 h / 18 - 22 °C

4.1: 66 mg / NaBH₄ / H₂O; methanol / 18 - 22 °C

With sodium tetrahydroborate; n-butyllithium; iodine; magnesium; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water;

DOI:10.1021/ol035746r

upstream raw materials:

6-(2-methoxy-phenyl)-2,3,4,5-tetrahydro-pyridine

piperidin-2-one

2-oxopiperidine-1-carboxylic acid tert-butyl ester

N-(5-oxo-5-(2-methoxyphenyl)-pentyl)-carbamic acid tert-butyl ester

Downstream raw materials:

2-(2-Methoxy-phenyl)-1-trimethylsilanylmethyl-piperidine

[(E)-5-(2-Methoxy-phenyl)-pent-4-enyl]-dimethyl-amine

3-(2-Methoxy-phenyl)-1-methyl-azepane