2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one

Base Information

• Chemical Name: 2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one
• CAS No.: 5418-94-0
• Molecular Formula: C8H5ClN2O
• Molecular Weight: 180.593
• Hs Code.: 2933990090
• NSC Number: 10546
• DSSTox Substance ID: DTXSID20202529
• Nikkaji Number: J51.372E
• Wikidata: Q72458829
• ChEMBL ID: CHEMBL1887887
• Mol file: 5418-94-0.mol

Synonyms:2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one;5418-94-0;2-chloropyrido[1,2-a]pyrimidin-4-one;2-Chloro-4H-pyrido(1,2-a)pyrimidin-4-one;4H-Pyrido(1,2-a)pyrimidin-4-one, 2-chloro-;NSC 10546;BRN 0128192;WLN: T66NV EMJ DG;MLS002638148;MFCD00457859;2-a)pyrimidin-4-one,2-chloro-4h-pyrido(;4H-Pyrido[1,2-a]pyrimidin-4-one, 2-chloro-;5-24-03-00086 (Beilstein Handbook Reference);NSC10546;4H-Pyrido[1, 2-chloro-;F1260-0993;CHEMBL1887887;SCHEMBL12442815;DTXSID20202529;HMS3080K15;NSC-10546;STK794377;AKOS001288151;2-Chloro-pyrido[1,2-a]pyrimidin-4-one;NS-01580;SMR001547637;LS-134165;FT-0741010;EN300-15294;E78541;Z57239598

Chemical Property of 2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one

Chemical Property:

• Vapor Pressure: 0.00256mmHg at 25°C
• Refractive Index: 1.662
• Boiling Point: 287°Cat760mmHg
• Flash Point: 127.3°C
• PSA: 34.37000
• Density: 1.42g/cm³
• LogP: 1.34790
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 180.0090405
• Heavy Atom Count: 12
• Complexity: 352

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC(=CC(=O)N2C=C1)Cl
• Uses: 2-Chloro-4h-pyrido[1,2-a]pyrimidin-4-one is useful in the synthesis of pyrimidin-5-one derivatives.

Technology Process of 2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one

There total 12 articles about 2-Chloro-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: 88.0%

2-hydroxy-4H-pyrido<1,2-a>pyrimidin-4-one (27420-41-3) → 2-chloro-4H-pyrido[1,2-a]pyrimidin-4-one (5418-94-0)

Guidance literature:

With oxalyl dichloride; for 1h; Heating;

DOI:10.1002/hc.20245

Reference yield: 24.0%

2-chloro-N-phenyl-4H-pyrido<1,2-a>pyrimidin-4-imine (111680-69-4) → 2-chloro-4H-pyrido[1,2-a]pyrimidin-4-one (5418-94-0) + 4-(phenylimino)-4H-pyrido<1,2-a>pyrimidin-2-ol (111680-80-9)

Guidance literature:

With hydrogenchloride; water; for 0.5h; Heating;

Reference yield:

2H,3H,4H-pyrido[1,2-a]pyrimidine-2,4-dione (22288-66-0) → 2-chloro-4H-pyrido[1,2-a]pyrimidin-4-one (5418-94-0)

Guidance literature:

With trichlorophosphate;

DOI:10.1039/jr9580000209 DOI:10.1021/ja01139a052

upstream raw materials:

2H,3H,4H-pyrido[1,2-a]pyrimidine-2,4-dione

2-chloro-N-phenyl-4H-pyrido<1,2-a>pyrimidin-4-imine

(2-pyridyl)iminopropadienone

trichlorophosphate

Downstream raw materials:

2-hydrazinyl-4H-pyrido[1,2-a]pyrimidin-4-one

2-morfolino-4H-pirido<1,2-a>pirimidin-4-one

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

2-(phenylamino)-4H-pyrido<1,2-a>pyrimidin-4-one