3-(3-Methoxyphenyl)piperidine

Base Information

• Chemical Name: 3-(3-Methoxyphenyl)piperidine
• CAS No.: 79601-21-1
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00454246
• ChEMBL ID: CHEMBL284072
• Mol file: 79601-21-1.mol

Synonyms:3-(3-methoxyphenyl)piperidine;79601-21-1;3-(3-Methoxyphenyl)-piperidine;3-(3-METHOXY-PHENYL)-PIPERIDINE;Piperidine, 3-(3-methoxyphenyl)-;CHORISMICACID;SCHEMBL567956;CHEMBL284072;3-(3-methoxyphenyl) piperidine;DTXSID00454246;LXCUAFVVTHZALS-UHFFFAOYSA-N;MFCD06656698;AKOS005264071;AB16250;AB25544;AS-38080;A9917;BB 0251952;CS-0139583;FT-0654721;FT-0691899;3-(3-methoxy-phenyl)-piperidine, AldrichCPR;EN300-190827;Q-102133

Chemical Property of 3-(3-Methoxyphenyl)piperidine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 303.682 °C at 760 mmHg
• Flash Point: 122.355 °C
• PSA: 21.26000
• Density: 1.003 g/cm³
• LogP: 2.49100
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• 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

3-(3-Methoxyphenyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2CCCNC2

Technology Process of 3-(3-Methoxyphenyl)piperidine

There total 21 articles about 3-(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: 90.7%

3-(3-methoxyphenyl)pyridine (4373-67-5) → 3-(3-methoxyphenylpiperidine) (79601-21-1)

Guidance literature:

With hydrogenchloride; hydrogen; platinum(IV) oxide; In methanol; for 3h; under 2844.3 Torr;

Reference yield: 83.0%

tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate → 3-(3-methoxyphenylpiperidine) (79601-21-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1002/chem.201501543

Reference yield:

3-phenoxymethyl-pyridine (69966-49-0) → 3-(3-methoxyphenylpiperidine) (79601-21-1)

Guidance literature:

With hydrogenchloride; sodium hydroxide; PtO₂; In methanol;

upstream raw materials:

3-(3-methoxyphenyl)pyridine

1-methanesulfonyl-3-(3-methoxy-phenyl)-piperidine

3-(3-methoxyphenyl)-1-p-toluenesulfonylpiperidine

3-hydroxypiperazine

Downstream raw materials:

(4-chlorophenyl)-carbamic acid (S)-2,2,2-trifluoro-1-[(S)-3-(3-methoxyphenyl)-piperidin-1-ylmethyl]-ethyl ester hydrochloride

(4-chlorophenyl)-carbamic acid (S)-2,2,2-trifluoro-1-[(R)-3-(3-methoxyphenyl)-piperidin-1-ylmethyl]-ethyl ester hydrochloride

(S)-1,1,1-trifluoro-3-((R)-3-(3-methoxyphenyl)piperidin-1-yl)propan-2-ol

(S)-1,1,1-trifluoro-3-((S)-3-(3-methoxyphenyl)piperidin-1-yl)propan-2-ol

Refernces

• 1、 Liu, Xu-Ge,Zhou, Chu-Jun,Lin,Han, Xiang-Lei,Zhang, Shang-Shi,Li, Qingjiang,Wang, Honggen. "Decarboxylative Negishi Coupling of Redox-Active Aliphatic Esters by Cobalt Catalysis". . p. 13096 - 13100. Retrieved 2018/09/21.
• 2、 Chang, Meng-Yang,Hsu, Ru-Ting,Chen, Hua-Ping,Lin, Pei-Jung. "Concise synthesis of 3-arylpiperidines". . p. 1173 - 1183. Retrieved 2007/10/03.