3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
• CAS No.: 27507-08-0
• Molecular Formula: C15H13N3O3
• Molecular Weight: 283.28
• DSSTox Substance ID: DTXSID001162772
• Mol file: 27507-08-0.mol

Synonyms:3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione;27507-08-0;3-[(4-methoxyphenyl)methyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione;SCHEMBL2528858;DTXSID001162772;CBA50708;STL278565;AKOS015956296;AKOS016384491;CCG-307572;FT-0757356;EN300-238468;F2135-0167;2-hydroxy-3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidin-4(3H)-one;3-[(4-Methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione;3-[(4-methoxyphenyl)methyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

Chemical Property of 3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Melting Point: 328-330 °C(Solv: ethanol (64-17-5))
• PKA: 11.44±0.20(Predicted)
• PSA: 76.98000
• Density: 1.336±0.06 g/cm3(Predicted)
• LogP: 1.14170
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 283.09569129
• Heavy Atom Count: 21
• Complexity: 407

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-(4-Methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC=N3)NC2=O

Technology Process of 3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione

There total 6 articles about 3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione 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:

pyridine-2,3-dicarboxylic acid 2-methyl ester (24195-07-1) + chloroformic acid ethyl ester (541-41-3) + 4-methoxy-benzylamine (2393-23-9) → 3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione (27507-08-0)

Guidance literature:

pyridine-2,3-dicarboxylic acid 2-methyl ester; chloroformic acid ethyl ester; With triethylamine; In tetrahydrofuran; at -10 ℃; for 1.5h;

With sodium azide; In tetrahydrofuran; water; at 0 ℃; for 1.5h;

4-methoxy-benzylamine; With pyridine; In toluene; at 20 ℃; for 24h; Reflux;

Reference yield:

Pyridine-2,3-dicarboxylic anhydride (699-98-9) → 3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione (27507-08-0)

Guidance literature:

Multi-step reaction with 5 steps

1: 72 percent / 48 h / Heating

2: Et₃N / tetrahydrofuran / 1.5 h / -10 °C

3: NaN₃ / tetrahydrofuran; H₂O / 1.5 h / 0 °C

4: toluene / 2 h / Heating

5: pyridine / toluene / 24 h / Heating

With pyridine; sodium azide; triethylamine; In tetrahydrofuran; water; toluene;

DOI:10.1055/s-2006-947350

Reference yield:

pyridine-2,3-dicarboxylic acid 2-methyl ester (24195-07-1) → 3-(4-methoxybenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione (27507-08-0)

Guidance literature:

Multi-step reaction with 4 steps

1: Et₃N / tetrahydrofuran / 1.5 h / -10 °C

2: NaN₃ / tetrahydrofuran; H₂O / 1.5 h / 0 °C

3: toluene / 2 h / Heating

4: pyridine / toluene / 24 h / Heating

With pyridine; sodium azide; triethylamine; In tetrahydrofuran; water; toluene;

DOI:10.1055/s-2006-947350

upstream raw materials:

4-methoxy-benzylamine

methyl 3-isocyanatopyridine-2-carboxylate

Pyridine-2,3-dicarboxylic anhydride

pyridine-2,3-dicarboxylic acid 2-methyl ester

Downstream raw materials:

pyrido<3,2-d>pyrimidine-2,4(1H,3H)-dione

2,4-dichloropyrido[3,2-d]-pyrimidine

2-chloropyrido[3,2-d]pyrimidine

4-isopropylsulfanyl-2-(3-methoxyphenyl)pyrido[3,2-d]pyrimidine

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