4H-Pyrido(1,2-a)pyrimidin-4-one, 2-(hexahydro-1H-azepin-1-yl)-3-(((2-oxo-3-oxazolidinyl)imino)methyl)-, hydrate

Base Information

• Chemical Name: 4H-Pyrido(1,2-a)pyrimidin-4-one, 2-(hexahydro-1H-azepin-1-yl)-3-(((2-oxo-3-oxazolidinyl)imino)methyl)-, hydrate
• CAS No.: 36146-44-8
• Molecular Formula: C18H21N5O3
• Molecular Weight: 355.391
• Mol file: 36146-44-8.mol

Synonyms:36146-44-8;4H-Pyrido(1,2-a)pyrimidin-4-one, 2-(hexahydro-1H-azepin-1-yl)-3-(((2-oxo-3-oxazolidinyl)imino)methyl)-, hydrate;C18H21N5O3.H2O;C18-H21-N5-O3.H2-O;LS-134182

Chemical Property of 4H-Pyrido(1,2-a)pyrimidin-4-one, 2-(hexahydro-1H-azepin-1-yl)-3-(((2-oxo-3-oxazolidinyl)imino)methyl)-, hydrate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 482.517°C at 760 mmHg
• Flash Point: 245.617°C
• Density: 1.415g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 355.16443955
• Heavy Atom Count: 26
• Complexity: 757

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=NN4CCOC4=O
• Isomeric SMILES: C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=N/N4CCOC4=O

Technology Process of 4H-Pyrido(1,2-a)pyrimidin-4-one, 2-(hexahydro-1H-azepin-1-yl)-3-(((2-oxo-3-oxazolidinyl)imino)methyl)-, hydrate

There total 1 articles about 4H-Pyrido(1,2-a)pyrimidin-4-one, 2-(hexahydro-1H-azepin-1-yl)-3-(((2-oxo-3-oxazolidinyl)imino)methyl)-, hydrate 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:

hexamethylene imine (111-49-9) + 3-amino-2-oxazolidinone (80-65-9) + 2-chloro-4-oxo-4H-pyrido<1,2-a>pyrimidine 3-carboxaldehyde (17481-62-8) → 2-azepan-1-yl-3-[(2-oxo-oxazolidin-3-ylimino)-methyl]-pyrido[1,2-a]pyrimidin-4-one (36146-44-8)

Guidance literature:

Multistep reaction; (i) , (ii) /BRN= 109430/, aq. HCl, EtOH;

DOI:10.1021/jm00292a005

Reference yield:

2-azepan-1-yl-3-[(2-oxo-oxazolidin-3-ylimino)-methyl]-pyrido[1,2-a]pyrimidin-4-one (36146-44-8) → 2-azepan-1-yl-3-[(2-oxo-oxazolidin-3-ylimino)-methyl]-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one (67466-15-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1021/jm00292a005

upstream raw materials:

hexamethylene imine

3-amino-2-oxazolidinone

2-chloro-4-oxo-4H-pyrido<1,2-a>pyrimidine 3-carboxaldehyde

Downstream raw materials:

2-azepan-1-yl-3-[(2-oxo-oxazolidin-3-ylimino)-methyl]-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one