3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Base Information

• Chemical Name: 3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
• CAS No.: 41078-70-0
• Molecular Formula: C11H11ClN2O
• Molecular Weight: 222.674
• Hs Code.: 2933990090
• European Community (EC) Number: 255-207-0
• DSSTox Substance ID: DTXSID70194041
• Nikkaji Number: J294.827C
• Wikidata: Q72450159
• Mol file: 41078-70-0.mol

Synonyms:41078-70-0;3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one;3-(2-chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one;3-(2-chloroethyl)-2-methyl-4H-pyrido-[1,2-a]pyrimidin-4-one;EINECS 255-207-0;3-(2-Chloro-ethyl)-2-methyl-pyrido[1,2-a]pyrimidin-4-one;3-(2-Chloroethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one;4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-;4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-;MLS006010917;SCHEMBL1444060;DTXSID70194041;MFCD03085747;AKOS015895865;AC-3456;AS-16100;SMR002530025;C2716;CS-0172068;FT-0639694;EN300-198942;AE-406/41056944;SR-01000945071;SR-01000945071-1;W-106323;2-methyl-3-(2-chloroethyl)-4H-pyrido[1,2-a)pyrimidin-4-one;3-(2-chloro-ethyl)-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one;3-(2-chloroethyl)-2-methyl-4h-pyri-do[1,2-a]pyrimidin-4-one;3-(2-Chloroethyl)-2-methyl-4H-pyrido-[1,2-a]pyrimidin-4one;3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a ]pyrimidin-4-one;3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a]-pyrimidin-4-one;3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one;3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a] pyrimnidin-4-one

Chemical Property of 3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 4.94E-05mmHg at 25°C
• Melting Point: 144.0 to 148.0 °C
• Refractive Index: 1.611
• Boiling Point: 348.7 °C at 760 mmHg
• Flash Point: 164.7 °C
• PSA: 34.37000
• Density: 1.28 g/cm³
• LogP: 1.78420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.0559907
• Heavy Atom Count: 15
• Complexity: 418

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N2C=CC=CC2=N1)CCCl

Technology Process of 3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

There total 8 articles about 3-(2-chloroethyl)-2-methyl-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: 97.0%

ethyl acetoacetate (141-97-9) + 1-Bromo-2-chloroethane (107-04-0) → 3-(2-chloro-ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (41078-70-0)

Guidance literature:

ethyl acetoacetate; With sodium hydride; In N,N-dimethyl-formamide; at -20 - 20 ℃; for 0.833333h; Inert atmosphere;

1-Bromo-2-chloroethane; In N,N-dimethyl-formamide; at 100 ℃; for 12h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;

Reference yield: 96.0%

pyridin-3-ylamine (462-08-8) + 2-acetyl-4-chlorobutyric acid ethyl ester → 3-(2-chloro-ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (41078-70-0)

Guidance literature:

With 1H-imidazole hydrochloride; at 120 ℃; for 6h; Reagent/catalyst; Temperature;

Reference yield: 95.0%

C11H12N2O2 → 3-(2-chloro-ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (41078-70-0)

Guidance literature:

With trichlorophosphate; Heating;

DOI:10.1016/j.tetlet.2007.12.106

upstream raw materials:

2-aminopyridine

3-acetyl-2-oxo-4,5-dihydrofuran

3-(1-(pyridin-2-ylamino)ethylidene)dihydrofuran-2-(3H)-one

pyridin-3-ylamine

Downstream raw materials:

3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

pirenperone

3-(2-(4-(4-tert-butylphenylsulfonyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

3-(2-(4-(phenylsulfonyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one