ethyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate

Base Information

• Chemical Name: ethyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate
• CAS No.: 72568-56-0
• Molecular Formula: C₁₄H₁₄N₂O₄
• Molecular Weight: 274.276
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50389615
• ChEMBL ID: CHEMBL4558614
• Mol file: 72568-56-0.mol

Synonyms:72568-56-0;ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate;ethyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate;6-Amino-5-cyano-4-furan-2-yl-2-methyl-4H-pyran-3-carboxylic acid ethyl ester;SCHEMBL2990904;CHEMBL4558614;DTXSID50389615;ONXZBQSHSGQIFU-UHFFFAOYSA-N;STK059329;AKOS000487341;AKOS016043023;SB61390;WL-127501;CS-0246970;EN300-35072;AB00674425-01;A918230;Z57201214;F1443-5944

Chemical Property of ethyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate

Chemical Property:

• Vapor Pressure: 1.78E-09mmHg at 25°C
• Boiling Point: 482.7°C at 760 mmHg
• Flash Point: 245.7°C
• PSA: 98.48000
• Density: 1.29g/cm³
• LogP: 2.62468
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 274.09535693
• Heavy Atom Count: 20
• Complexity: 527

Purity/Quality:

97% ^*data from raw suppliers

Ethyl6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(OC(=C(C1C2=CC=CO2)C#N)N)C

Technology Process of ethyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate

There total 3 articles about ethyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate 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: 100.0%

furfural (98-01-1) + ethyl acetoacetate (141-97-9) + malononitrile (109-77-3) → ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate (72568-56-0)

Guidance literature:

With 6C₄H₁₂N⁽¹⁺⁾*6H₂O*Nb₁₀O₂₈^(6-); In neat (no solvent); at 80 ℃; for 1h; Microwave irradiation;

DOI:10.1007/s11164-018-3440-y

Reference yield: 85.0%

2-cyano-3-(2-furanyl)acrylonitrile (3237-22-7) + ethyl acetoacetate (141-97-9) → ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate (72568-56-0)

Guidance literature:

With piperidine; In ethanol; for 6h; Heating;

DOI:10.1002/ardp.19883210304

Reference yield:

furfural (98-01-1) → ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate (72568-56-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate / neat (no solvent) / 20 °C / Milling; Green chemistry

2: ammonium acetate / neat (no solvent) / 20 °C / Milling; Green chemistry

With ammonium acetate; In neat (no solvent); 1: |Knoevenagel Condensation;

DOI:10.1080/00397911.2012.716484

upstream raw materials:

2-cyano-3-(2-furanyl)acrylonitrile

ethyl acetoacetate

furfural

malononitrile

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