2-cyano-N-ethyl-3-[2-(4-methoxyphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

Base Information

• Chemical Name: 2-cyano-N-ethyl-3-[2-(4-methoxyphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
• CAS No.: 5281-63-0
• Molecular Formula: C21H18N4O4
• Molecular Weight: 158.154
• DSSTox Substance ID: DTXSID70967277
• Mol file: 5281-63-0.mol

Synonyms:5281-63-0;DTXSID70967277;2-Cyano-N-ethyl-3-[2-(4-methoxyphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enimidic acid

Chemical Property of 2-cyano-N-ethyl-3-[2-(4-methoxyphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

Chemical Property:

• Boiling Point: 354.3°Cat760mmHg
• Flash Point: 168.1°C
• Density: 1.2g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 390.13280507
• Heavy Atom Count: 29
• Complexity: 880

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)OC3=CC=C(C=C3)OC)C#N

Technology Process of 2-cyano-N-ethyl-3-[2-(4-methoxyphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

There total 2 articles about 2-cyano-N-ethyl-3-[2-(4-methoxyphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide 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:

diethyl allylmethylmalonate (53651-72-2) → 2-Allyl-2-methylmalonic acid (5281-63-0)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1016/S0040-4020(01)97286-2

Reference yield:

diethyl (but-1-en-3-yl)malonate (759-35-3) → 2-Allyl-2-methylmalonic acid (5281-63-0)

Guidance literature:

With potassium hydroxide;

Reference yield:

2-Allyl-2-methylmalonic acid (5281-63-0) → (+-)-2-methyl-pent-4-enoic acid (1575-74-2)

Guidance literature:

at 160 ℃; under 20 Torr;

DOI:10.1016/S0040-4020(01)97286-2

upstream raw materials:

diethyl (but-1-en-3-yl)malonate

diethyl allylmethylmalonate

Downstream raw materials:

(+-)-2-methyl-pent-4-enoic acid

(2R,4S)-4-Benzyloxy-2-methyl-pentan-1-ol

(R)-2-Methyl-pent-4-enoic acid ((S)-1-hydroxymethyl-2-phenyl-ethyl)-amide

(S)-2-Methyl-pent-4-enoic acid ((S)-1-hydroxymethyl-2-phenyl-ethyl)-amide

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