2-Chloropyrimido[2,1-a]isoquinolin-4-one

Base Information

Chemical Name:2-Chloropyrimido[2,1-a]isoquinolin-4-one
CAS No.:42398-55-0
Molecular Formula:C12H7 Cl N2 O
Molecular Weight:230.64978
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90464410
Nikkaji Number:J632.784B
Wikidata:Q82289711
Mol file:42398-55-0.mol

Synonyms:42398-55-0;2-Chloropyrimido[2,1-a]isoquinolin-4-one;2-CHLORO-4H-PYRIMIDO[2,1-A]ISOQUINOLIN-4-ONE;SCHEMBL3539918;DTXSID90464410;AKOS015962749;AC-17633

Suppliers and Price of 2-Chloropyrimido[2,1-a]isoquinolin-4-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-CHLOROPYRIMIDO(2,1-A)ISOQUINOLIN-4-ONE 95.00%
5MG
$ 504.99

Total 2 raw suppliers

Chemical Property of 2-Chloropyrimido[2,1-a]isoquinolin-4-one

Chemical Property:

Vapor Pressure:2.31E-05mmHg at 25°C
Melting Point:197-199 °C
Refractive Index:1.698
Boiling Point:359.8°C at 760 mmHg
PKA:-3.84±0.40(Predicted)
Flash Point:171.4°C
PSA：34.37000
Density:1.42g/cm³
LogP:2.50110
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:230.0246905
Heavy Atom Count:16
Complexity:425

Purity/Quality:

99% ^*data from raw suppliers

2-CHLOROPYRIMIDO(2,1-A)ISOQUINOLIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CN3C2=NC(=CC3=O)Cl

Technology Process of 2-Chloropyrimido[2,1-a]isoquinolin-4-one

There total 3 articles about 2-Chloropyrimido[2,1-a]isoquinolin-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: 91.0%

: 23212-58-0
pyrimido[2,1-a]isoquinoline-2,4-dione

: 42398-55-0
2-chloro-4H-pyrimido<2,1-a>isoquinolin-4-one

Guidance literature:: With trichlorophosphate; for 5h; Heating;
DOI:10.1021/jm049526a

Reference yield:

: 1532-84-9
isoquinolin-1-ylamine

: 42398-55-0
2-chloro-4H-pyrimido<2,1-a>isoquinolin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / ethanol / 4 h / 170 °C

2: 91 percent / POCl₃ / 5 h / Heating

With trichlorophosphate; In ethanol;
DOI:10.1021/jm049526a