Mono-p-coumarylputrescine

Base Information

• Chemical Name: Mono-p-coumarylputrescine
• CAS No.: 80244-08-2
• Molecular Formula: C₁₃H₁₈N₂O₂*ClH
• Molecular Weight: 270.759
• Mol file: 80244-08-2.mol

Synonyms:mono-4-coumarylputrescine;mono-p-coumarylputrescine;monoparacoumarylputrescinium chloride;MPCPT

Chemical Property of Mono-p-coumarylputrescine

Chemical Property:

• Vapor Pressure: 3.06E-10mmHg at 25°C
• Boiling Point: 490.4°Cat760mmHg
• Flash Point: 250.4°C
• PSA: 78.84000
• Density: g/cm³
• LogP: 3.60310
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 270.1135055
• Heavy Atom Count: 18
• Complexity: 246

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)NCCCCN)O.Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)NCCCCN)O.Cl

Technology Process of Mono-p-coumarylputrescine

There total 2 articles about Mono-p-coumarylputrescine 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:

{4-[3-(4-hydroxy-phenyl)-acryloylamino]-butyl}-carbamic acid tert-butyl ester → p-coumaroylputrescine monohydrochloride (80244-08-2)

Guidance literature:

{4-[3-(4-hydroxy-phenyl)-acryloylamino]-butyl}-carbamic acid tert-butyl ester; With trifluoroacetic acid; In dichloromethane; at 25 ℃; for 0.666667h; Inert atmosphere;

With hydrogenchloride; In methanol; water;

DOI:10.1021/acs.jafc.8b03976

Reference yield:

p-Coumaric Acid (7400-08-0,50940-26-6) → p-coumaroylputrescine monohydrochloride (80244-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dicyclohexyl-carbodiimide / dichloromethane / 48 h / 20 °C

2: trifluoroacetic acid / dichloromethane / 0.67 h / 25 °C / Inert atmosphere

With dicyclohexyl-carbodiimide; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/acs.jafc.8b03976

upstream raw materials:

p-Coumaric Acid

Refernces