2-cyano-3-[9-methyl-2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide

Base Information

• Chemical Name: 2-cyano-3-[9-methyl-2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide
• CAS No.: 5267-21-0
• Molecular Formula: C7H7 N3 O5
• Molecular Weight: 460.5249
• DSSTox Substance ID: DTXSID90411308
• Mol file: 5267-21-0.mol

Synonyms:5267-21-0;2-cyano-3-[9-methyl-2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide;DTXSID90411308

Chemical Property of 2-cyano-3-[9-methyl-2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.19g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 460.21105539
• Heavy Atom Count: 34
• Complexity: 1000

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NCCCOC(C)C

Technology Process of 2-cyano-3-[9-methyl-2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide

There total 2 articles about 2-cyano-3-[9-methyl-2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)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:

5-methoxy-2,4-dinitrotoluene (3606-21-1) → N-(5-methyl-2,4-dinitro-phenyl)-hydroxylamine (5267-21-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium ethanolate; In ethanol;

DOI:10.1016/0040-4020(66)80074-1

Reference yield:

ethanol (64-17-5) + 2,4,5-trinitrotoluene (610-25-3) + hydroxylamine (7803-49-8) → N-(5-methyl-2,4-dinitro-phenyl)-hydroxylamine (5267-21-0)

Guidance literature:

at 45 - 50 ℃;

Reference yield:

N-(5-methyl-2,4-dinitro-phenyl)-hydroxylamine (5267-21-0) → O-acetyl-N-(5-methyl-2,4-dinitro-phenyl)-hydroxylamine (5267-22-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanolic KOH-solution

2: acetic acid anhydride

With potassium hydroxide; acetic anhydride;

DOI:10.1016/0040-4020(66)80074-1

upstream raw materials:

5-methoxy-2,4-dinitrotoluene

ethanol

2,4,5-trinitrotoluene

hydroxylamine

Downstream raw materials:

O-acetyl-N-(5-methyl-2,4-dinitro-phenyl)-hydroxylamine