Cyclohexanecarboxylic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride

Base Information

• Chemical Name: Cyclohexanecarboxylic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride
• CAS No.: 67238-99-7
• Molecular Formula: C₁₆H₂₉NO₂*ClH
• Molecular Weight: 303.873
• NSC Number: 30254
• Mol file: 67238-99-7.mol

Synonyms:Cyclohexanecarboxylic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride;67238-99-7;Cyclohexanecarboxylic acid, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride;NSC30254;NSC 30254;NSC-30254;LS-56718

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

Chemical Property:

• Vapor Pressure: 1.21E-05mmHg at 25°C
• Boiling Point: 369.2°Cat760mmHg
• Flash Point: 120.2°C
• Density: 0.988g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 303.1965069
• Heavy Atom Count: 20
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCN1CCCOC(=O)C2CCCCC2.Cl

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

There total 3 articles about Cyclohexanecarboxylic 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) → 1-cyclohexanecarbonyloxy-3-(2-methyl-piperidino)-propane; hydrochloride (67238-99-7)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

2: isopropyl alcohol

With thionyl chloride; isopropyl alcohol;

DOI:10.1021/ja01216a051

Reference yield:

2-Methylpiperidin (109-05-7,3000-79-1) → 1-cyclohexanecarbonyloxy-3-(2-methyl-piperidino)-propane; hydrochloride (67238-99-7)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / 160 °C

2: thionyl chloride

3: isopropyl alcohol

With thionyl chloride; potassium carbonate; isopropyl alcohol;

DOI:10.1021/ja01216a051

Reference yield:

1-(3-chloro-propyl)-2-methyl-piperidine (66773-94-2) + Cyclohexanecarboxylic acid (98-89-5) → 1-cyclohexanecarbonyloxy-3-(2-methyl-piperidino)-propane; hydrochloride (67238-99-7)

Guidance literature:

With isopropyl alcohol;

DOI:10.1021/ja01216a051

upstream raw materials:

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

Cyclohexanecarboxylic acid

2-methylpiperidine-1-propanol

2-Methylpiperidin