2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide

Base Information

• Chemical Name: 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide
• CAS No.: 5889-42-9
• Molecular Formula: C₇H₁₀O₂
• Molecular Weight: 126.155
• DSSTox Substance ID: DTXSID50412093

Synonyms:5889-42-9;2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide;DTXSID50412093

Chemical Property of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide

Chemical Property:

• Vapor Pressure: 2.8E-20mmHg at 25°C
• Boiling Point: 714.8°Cat760mmHg
• Flash Point: 386.1°C
• Density: 1.163g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 490.29439109
• Heavy Atom Count: 36
• Complexity: 709

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=CC=C3)C(=O)NCCCN4CCOCC4

Technology Process of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide

There total 10 articles about 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide 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:

(E)-methyl 4-chlorobut-2-enoate (999-54-2) + tri-n-butyl(vinyl)tin (7486-35-3) → Methyl-2,5-hexadienoat (37616-27-6,5889-42-9)

Guidance literature:

dichloro bis(acetonitrile) palladium(II); triphenylphosphine; In chloroform-d1; at 65 ℃; for 48h;

DOI:10.1021/ja00329a032

Reference yield:

methyl-4-bromo-2-butenoate (1117-71-1,56699-18-4,6000-00-6) + tri-n-butyl(vinyl)tin (7486-35-3) → Methyl-2,5-hexadienoat (37616-27-6,5889-42-9)

Guidance literature:

dichloro bis(acetonitrile) palladium(II); triphenylphosphine; In chloroform-d1; at 65 ℃; for 48h;

DOI:10.1021/ja00329a032

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + propynoic acid methyl ester (922-67-8) → Methyl-2,5-hexadienoat (37616-27-6,5889-42-9) + methyl 3-methylcyclobutene-1-carboxylate (60697-54-3) + 2-Methylcyclobutencarbonsaeuremethylester (60697-55-4)

Guidance literature:

aluminium trichloride; In benzene;

DOI:10.1021/ja00512a029

upstream raw materials:

methanol

carbon monoxide

3-chloroprop-1-ene

acetylene

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