Coumarin, 3-(piperidinocarbonyl)-

Base Information

• Chemical Name: Coumarin, 3-(piperidinocarbonyl)-
• CAS No.: 18144-51-9
• Molecular Formula: C15H15NO3
• Molecular Weight: 257.28
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40171147
• Nikkaji Number: J118.429F
• Wikidata: Q83041235
• Mol file: 18144-51-9.mol

Synonyms:18144-51-9;COUMARIN, 3-(PIPERIDINOCARBONYL)-;3-(Piperidinocarbonyl)coumarin;BRN 0262898;3-(piperidine-1-carbonyl)chromen-2-one;3-(piperidine-1-carbonyl)-2H-chromen-2-one;3-(Piperidinocarbonyl)-2H-1-benzopyran-2-one;4-20-00-01321 (Beilstein Handbook Reference);2H-1-Benzopyran-2-one, 3-(1-piperidinylcarbonyl)-;3-(PIPERIDIN-1-YLCARBONYL)COUMARIN;Maybridge3_000248;3-(piperidin-1-ylcarbonyl)-2H-chromen-2-one;Oprea1_179320;Oprea1_457811;DTXSID40171147;HMS1431L06;STK760522;AKOS000533281;IDI1_011635;LS-55268;SR-01000410419;3-(1-PIPERIDINYLCARBONYL)-2H-CHROMEN-2-ONE;SR-01000410419-1;Z31424466

Chemical Property of Coumarin, 3-(piperidinocarbonyl)-

Chemical Property:

• Vapor Pressure: 2.25E-10mmHg at 25°C
• Boiling Point: 506.3°C at 760 mmHg
• Flash Point: 260°C
• PSA: 50.52000
• Density: 1.286g/cm³
• LogP: 2.35700
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 257.10519334
• Heavy Atom Count: 19
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O

Technology Process of Coumarin, 3-(piperidinocarbonyl)-

There total 7 articles about Coumarin, 3-(piperidinocarbonyl)- 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: 80.0%

piperidine (110-89-4) + 2-oxo-2H-chromene-3-carboxylic acid (531-81-7) → coumarin-3-carbonylpiperidine (18144-51-9)

Guidance literature:

2-oxo-2H-chromene-3-carboxylic acid; With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 1h;

piperidine; With dmap; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bioorg.2020.103700

Reference yield: 70.0%

piperidine (110-89-4) + salicylaldehyde (90-02-8) + diethyl malonate (105-53-3) → coumarin-3-carbonylpiperidine (18144-51-9)

Guidance literature:

With Ni-NiO nanoparticles; In ethanol; for 4h; Reflux; Green chemistry;

DOI:10.1039/c5ra13932e

Reference yield: 60.0%

piperidine (110-89-4) + coumarin 3-carboxylic acid chloride (3757-06-0) → coumarin-3-carbonylpiperidine (18144-51-9)

Guidance literature:

for 0.166667h; heating on water bath;

DOI:10.1002/jhet.5570180122

upstream raw materials:

piperidine

coumarin 3-carboxylic acid chloride

ethyl coumarin-3-carboxylate

2-oxo-2H-chromene-3-carboxylic acid

Downstream raw materials:

α-carbonylpiperidine-o-hydroxycinnamic acid piperidide