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

Base Information

• Chemical Name: Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
• CAS No.: 21038-67-5
• Molecular Formula: C₇H₅N₃O₂
• Molecular Weight: 163.136
• Hs Code.: 2933990090
• European Community (EC) Number: 862-367-0
• NSC Number: 127963
• DSSTox Substance ID: DTXSID00299073
• Nikkaji Number: J117.079A
• Wikidata: Q82041260
• Mol file: 21038-67-5.mol

Synonyms:Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione;21038-67-5;1H-pyrido[3,4-d]pyrimidine-2,4-dione;1H,2H,3H,4H-PYRIDO[3,4-D]PYRIMIDINE-2,4-DIONE;Pyrido[3,4-d]pyrimidine-2,4-diol;MFCD07438024;NSC 127963;Pyrido(3,4-d)pyrimidine-2,4(1H,3H)-dione;Pyrido[3,4-d]pyrimidine-2,4[1H,3H]-dione;NSC127963;2,4-Dihydroxypyrido[3,4-d]pyrimidine;Pyrido[3,4(1H,3H)-dione;SCHEMBL4769832;SCHEMBL18343109;DTXSID00299073;AKOS006285865;FS-2886;MB04667;NSC-127963;BP-20263;SY112656;FT-0695263;Pyrido[3,4-d] pyrimidine-2,4(1H,3H)dione;EN300-106860;A879286;Z1198173337

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

Chemical Property:

• Melting Point: >320 °C
• Refractive Index: 1.593
• PKA: 9.01±0.20(Predicted)
• PSA: 78.61000
• Density: 1.424 g/cm³
• LogP: -0.38860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.038176411
• Heavy Atom Count: 12
• Complexity: 229

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pyrido[3,4-D]pyrimidine-2,4(1H,3H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=C1C(=O)NC(=O)N2

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

There total 8 articles about Pyrido[3,4-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: 89.0%

carbon dioxide (124-38-9,18923-20-1) + 3-amino-4-cyano-pyridine (78790-79-1) → pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione (21038-67-5)

Guidance literature:

With 1,5-diazabicyclo[4.3.0]non-5-ene 2,2,2-trifluoroethanol; at 60 ℃; for 3h;

Reference yield: 78.0%

3-Aminopyridine-4-carboxylic acid (7579-20-6) + urea (57-13-6) → pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione (21038-67-5)

Guidance literature:

In neat (no solvent); at 210 ℃; for 1h;

Reference yield: 70.0%

3-aminopyridine-4-carboxamide (64188-97-2) + bis(trichloromethyl) carbonate (32315-10-9) → pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione (21038-67-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 2h; Reflux;

upstream raw materials:

pyridine-3,4-dicarboxamide

urea

bromine

3-aminopyridine-4-carboxamide

Downstream raw materials:

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

Refernces

• 1、 -. "METHODS AND COMPOSITIONS FOR OCULAR CELL THERAPY". Paragraph 1214-1215. . Retrieved 2020/05/14.
• 2、 Li, Chun,Lu, Xunhua,Yang, Yuanyong,Yang, Shenggang,Zhang, Lin. "Ionic liquid promoted synthesis of heterocycle-fused pyrimidine-2,4(1H,3H)-diones utilising CO2". supporting information. p. 2463 - 2466. Retrieved 2018/05/26.