3-({3-[(4-Fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(4-methylcyclohexyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

Base Information

• Chemical Name: 3-({3-[(4-Fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(4-methylcyclohexyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
• CAS No.: 7026-90-6
• Molecular Formula: C27H27FN4O2S2
• Molecular Weight: 522.6573
• DSSTox Substance ID: DTXSID20413870

Synonyms:7026-90-6;DTXSID20413870;3-({3-[(4-Fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(4-methylcyclohexyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

Chemical Property of 3-({3-[(4-Fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(4-methylcyclohexyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

Chemical Property:

• Vapor Pressure: 2.07E-13mmHg at 25°C
• Boiling Point: 579.2°C at 760 mmHg
• Flash Point: 304.1°C
• Density: 1.39g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 522.15594663
• Heavy Atom Count: 36
• Complexity: 1110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1)NC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)CC5=CC=C(C=C5)F

Technology Process of 3-({3-[(4-Fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(4-methylcyclohexyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

There total 3 articles about 3-({3-[(4-Fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-[(4-methylcyclohexyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one 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:

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → 5-Ethoxymethyl-3-methylcyclopenten (7026-90-6)

Guidance literature:

Multi-step reaction with 2 steps

1: SnCl₄

With tin(IV) chloride;

DOI:10.1021/jo01050a024

Reference yield:

methyl magnesium iodide (917-64-6) + 3-Chlor-5-aethoxymethyl-cyclopenten-(1) (16830-90-3) → 5-Ethoxymethyl-3-methylcyclopenten (7026-90-6)

Guidance literature:

Multistep reaction;

DOI:10.1021/jo01050a024

Reference yield:

→ 5-Ethoxymethyl-3-methylcyclopenten (7026-90-6)

Guidance literature:

5-Ethoxymethyl-3-chlormethylcyclopenten, MeMgI;

upstream raw materials:

methyl magnesium iodide

3-Chlor-5-aethoxymethyl-cyclopenten-⁽¹⁾

cyclopenta-1,3-diene

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