N-cyclohexyl-3,4,5-trimethoxybenzamide

Base Information

• Chemical Name: N-cyclohexyl-3,4,5-trimethoxybenzamide
• CAS No.: 86425-58-3
• Molecular Formula: C₁₆H₂₃NO₄
• Molecular Weight: 293.363
• European Community (EC) Number: 661-394-3
• DSSTox Substance ID: DTXSID10356888
• Nikkaji Number: J628.603H
• Wikidata: Q82136515
• Mol file: 86425-58-3.mol

Synonyms:N-cyclohexyl-3,4,5-trimethoxybenzamide;5364-64-7;86425-58-3;CBMicro_020009;Oprea1_027245;SCHEMBL3140700;DTXSID10356888;CCG-7469;STL481501;AKOS002265496;BIM-0019864.P001;CS-0302458;AN-652/40194520;Z27759610

Chemical Property of N-cyclohexyl-3,4,5-trimethoxybenzamide

Chemical Property:

• Melting Point: 180 °C
• Boiling Point: 393.2±42.0 °C(Predicted)
• PKA: 13.91±0.20(Predicted)
• Density: 1.13±0.1 g/cm3(Predicted)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 293.16270821
• Heavy Atom Count: 21
• Complexity: 316

Purity/Quality:

N-CYCLOHEXYL-3,4,5-TRIMETHOXYBENZAMIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCCC2

Technology Process of N-cyclohexyl-3,4,5-trimethoxybenzamide

There total 3 articles about N-cyclohexyl-3,4,5-trimethoxybenzamide 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: 75.0%

cyclohexylamine (108-91-8,157973-60-9) → N-cyclohexyl-3,4,5-trimethoxybenzamide (86425-58-3)

Guidance literature:

With triethylamine; In benzene; for 0.5h; Ambient temperature;

Reference yield: 40.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) + cyclohexylamine (108-91-8,157973-60-9) → N-cyclohexyl-3,4,5-trimethoxybenzamide (86425-58-3)

Guidance literature:

cyclohexylamine; With carbon dioxide; Green chemistry;

3,4,5-trimethoxy-benzaldehyde; With tert.-butylhydroperoxide; iron(II) chloride tetrahydrate; tetrabutylammomium bromide; In water; acetonitrile; at 40 ℃; for 10h; Inert atmosphere; Green chemistry;

DOI:10.1016/j.tetlet.2015.08.066

Reference yield:

→ N-cyclohexyl-3,4,5-trimethoxybenzamide (86425-58-3)

Guidance literature:

3,4,5-Trimethoxy-benzoesaeure, Cyclohexylamin, POCl3, Toluol, Rueckfluss;

upstream raw materials:

cyclohexylamine

3,4,5-trimethoxy-benzaldehyde

Refernces

• 1、 -. "PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD". Page/Page column 37-38. . Retrieved 2010/05/13.