3-Phenylpropionic acid 3-(2-methylpiperidino)propyl ester hydrochloride

Base Information

• Chemical Name: 3-Phenylpropionic acid 3-(2-methylpiperidino)propyl ester hydrochloride
• CAS No.: 67466-07-3
• Molecular Formula: C₁₈H₂₇NO₂*ClH
• Molecular Weight: 325.879
• DSSTox Substance ID: DTXSID30986808
• Mol file: 67466-07-3.mol

Synonyms:3-Phenylpropionic acid 3-(2-methylpiperidino)propyl ester hydrochloride;Propionic acid, 3-phenyl-, 3-(2-methylpiperidino)propyl ester, hydrochloride;67466-07-3;DTXSID30986808;LS-124841;3-(2-Methylpiperidin-1-yl)propyl 3-phenylpropanoate--hydrogen chloride (1/1);Benzenepropanoic acid, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride

Chemical Property of 3-Phenylpropionic acid 3-(2-methylpiperidino)propyl ester hydrochloride

Chemical Property:

• Vapor Pressure: 9.35E-07mmHg at 25°C
• Boiling Point: 404.6°C at 760 mmHg
• Flash Point: 128.4°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 325.1808568
• Heavy Atom Count: 22
• Complexity: 300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCN1CCCOC(=O)CCC2=CC=CC=C2.Cl

Technology Process of 3-Phenylpropionic acid 3-(2-methylpiperidino)propyl ester hydrochloride

There total 3 articles about 3-Phenylpropionic acid 3-(2-methylpiperidino)propyl ester hydrochloride 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:

2-methylpiperidine-1-propanol (94-88-2) → 3-phenyl-propionic acid-[3-(2-methyl-piperidino)-propylester]; hydrochloride (67466-07-3)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

With thionyl chloride;

DOI:10.1021/ja01216a051

Reference yield:

2-Methylpiperidin (109-05-7,3000-79-1) → 3-phenyl-propionic acid-[3-(2-methyl-piperidino)-propylester]; hydrochloride (67466-07-3)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / 160 °C

2: thionyl chloride

With thionyl chloride; potassium carbonate;

DOI:10.1021/ja01216a051

Reference yield:

1-(3-chloro-propyl)-2-methyl-piperidine (66773-94-2) + isopropyl alcohol (67-63-0,8013-70-5) + 3-Phenylpropionic acid (501-52-0) → 3-phenyl-propionic acid-[3-(2-methyl-piperidino)-propylester]; hydrochloride (67466-07-3)

Guidance literature:

DOI:10.1021/ja01216a051

upstream raw materials:

1-(3-chloro-propyl)-2-methyl-piperidine

isopropyl alcohol

3-Phenylpropionic acid

2-methylpiperidine-1-propanol