PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-2-(1,1-DIMETHYLETHYL)-

Base Information

• Chemical Name: PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-2-(1,1-DIMETHYLETHYL)-
• CAS No.: 705291-51-6
• Molecular Formula: C11H12 Cl N3 O
• Molecular Weight: 237.69
• Mol file: 705291-51-6.mol

Synonyms:Pyrido[3,4-d]pyrimidin-4(1H)-one,6-chloro-2-(1,1-dimethylethyl)- (9CI)

Chemical Property of PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-2-(1,1-DIMETHYLETHYL)-

Chemical Property:

• Melting Point: 237-238 °C
• Boiling Point: 395.5±52.0 °C(Predicted)
• PKA: 0.04±0.20(Predicted)
• PSA: 58.64000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 2.26900

Purity/Quality:

99% ^*data from raw suppliers

6-CHLORO-2-(1,1-DIMETHYLETHYL)-PYRIDO-[3,4-D]PYRIMIDIN-4(3H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-2-(1,1-DIMETHYLETHYL)-

There total 2 articles about PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-2-(1,1-DIMETHYLETHYL)- 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:

2-tert-butyl-6-chloro-pyrido[3,4-d][1,3]oxazin-4-one → 2-tert-butyl-6-chloropyrido[3,4-d]pyrimidin-4(3H)-one (705291-51-6)

Guidance literature:

With ammonia; at 20 ℃; for 24h;

DOI:10.1016/j.tet.2004.02.040

Reference yield:

3-(tert-butylcarbonylamino)-6-chloroisonicotinic acid (183741-81-3) → 2-tert-butyl-6-chloropyrido[3,4-d]pyrimidin-4(3H)-one (705291-51-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic anhydride / 2 h / Heating

2: 6.72 g / NH₃ / 24 h / 20 °C

With ammonia; acetic anhydride;

DOI:10.1016/j.tet.2004.02.040

Reference yield: 97.0%

benzaldehyde (100-52-7) + 2-tert-butyl-6-chloropyrido[3,4-d]pyrimidin-4(3H)-one (705291-51-6) → 2-tert-butyl-6-chloro-5-(hydroxy(phenyl)methyl)pyrido[3,4-d]pyrimidin-4(3H)-one

Guidance literature:

2-tert-butyl-6-chloropyrido[3,4-d]pyrimidin-4(3H)-one; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

benzaldehyde; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Further stages.;

DOI:10.1016/j.tet.2004.02.040

upstream raw materials:

3-(tert-butylcarbonylamino)-6-chloroisonicotinic acid

Refernces