Agn-PC-0lop4H

Base Information

• Chemical Name: Agn-PC-0lop4H
• CAS No.: 6070-17-3
• Molecular Formula: C₂₄H₄₆O₂
• Molecular Weight: 366.628
• DSSTox Substance ID: DTXSID90411020
• Mol file: 6070-17-3.mol

Synonyms:6070-17-3;AGN-PC-0LOP4H;DTXSID90411020

Chemical Property of Agn-PC-0lop4H

Chemical Property:

• Vapor Pressure: 6.11E-29mmHg at 25°C
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 660.1663290
• Heavy Atom Count: 48
• Complexity: 1410

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)N1C(=O)C2CC=C3C(C2C1=O)CC4C(=O)N(C(=O)C4(C3C5=C(C=CC6=CC=CC=C65)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl

Technology Process of Agn-PC-0lop4H

There total 4 articles about Agn-PC-0lop4H 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%

(1S,2R,5S)-(+)-menthol (15356-60-2) + tetradecanoyl chloride (112-64-1) → Tetradecanoic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester (6070-17-3)

Guidance literature:

With thionyl chloride; In tetrahydrofuran; for 3h;

Reference yield:

n-tetradecanoic acid (544-63-8) → Tetradecanoic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester (6070-17-3)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 3 h / 70 °C

2: thionyl chloride / tetrahydrofuran / 3 h

With thionyl chloride; In tetrahydrofuran;

Reference yield:

(-)-menthol (2216-51-5) + tetradecanoyl chloride (112-64-1) → myristic acid menthyl ester (95746-64-8,6070-17-3)

Guidance literature:

at 100 ℃; -myristate;

upstream raw materials:

(-)-menthol

tetradecanoyl chloride

(1S,2R,5S)-(+)-menthol

n-tetradecanoic acid