Furo[3,2-d]pyrimidine-2,4-diol

Base Information

• Chemical Name: Furo[3,2-d]pyrimidine-2,4-diol
• CAS No.: 956034-06-3
• Molecular Formula: C6H4N2O3
• Molecular Weight: 152.109
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60468642
• Wikidata: Q82295954
• Mol file: 956034-06-3.mol

Synonyms:Furo[3,2-d]pyrimidine-2,4-diol;956034-06-3;Furo[3,2-d]pyrimidine-2,4(1H,3H)-dione;1H-furo[3,2-d]pyrimidine-2,4-dione;MFCD11520867;SCHEMBL190068;DTXSID60468642;UEICIOHAOMRQDE-UHFFFAOYSA-N;AKOS006323682;SY271809;CS-0088106;FT-0736485;EN300-314223;A858987;Z1198330349

Chemical Property of Furo[3,2-d]pyrimidine-2,4-diol

Chemical Property:

• Refractive Index: 1.548
• PSA: 79.38000
• Density: 1.461g/cm3
• LogP: 0.63400
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.02219199
• Heavy Atom Count: 11
• Complexity: 216

Purity/Quality:

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

Furo[3,2-d]pyrimidine-2,4-diol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC2=C1NC(=O)NC2=O

Technology Process of Furo[3,2-d]pyrimidine-2,4-diol

There total 9 articles about Furo[3,2-d]pyrimidine-2,4-diol 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: 93.1%

methyl 3-ureidofuran-2-carboxylate (1093066-63-7) → furo[3,2-d]pyrimidine-2,4(1H,3H)-dione (956034-06-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 70 ℃; for 3.5h;

DOI:10.1016/j.ejmech.2021.113357

Reference yield: 91.0%

methyl 3-ureidofuran-2-carboxylate (1093066-63-7) → furo[3,2-d]pyrimidine-2,4-diol (956034-06-3)

Guidance literature:

methyl 3-ureidofuran-2-carboxylate; With sodium hydroxide; In methanol; water; for 1.5h; Heating / reflux;

With hydrogenchloride; In methanol; water; at 20 ℃; pH=3;

Reference yield: 91.0%

ethyl 3-ureidofuran-2-carboxylate (956034-05-2) → furo[3,2-d]pyrimidine-2,4-diol (956034-06-3)

Guidance literature:

ethyl 3-ureidofuran-2-carboxylate; With sodium hydroxide; In methanol; water; for 1.5h; Heating / reflux;

With hydrogenchloride; In methanol; water; pH=3;

upstream raw materials:

ethyl 3-ureidofuran-2-carboxylate

methyl 3-ureidofuran-2-carboxylate

methyl 3-((tert-butoxycarbonyl)amino)furan-2-carboxylate

methyl 3-aminofuran-2-carboxylate

Downstream raw materials:

2,4-dichloro-furo[3,2-d]pyrimidine

sodium 3-(2-chlorofuro[3,2-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxylate

3-(2-chlorofuro[3,2-d]pyrimidin-4-ylamino)-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-(3-methoxyphenyl)-3-(2-(2-(pyridin-2-yl)pyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide

Refernces

• 1、 -. "PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof". Paragraph 0175-0180. . Retrieved 2021/07/01.
• 2、 -. "Five-And-Six-Membered Heterocyclic Compound, And Preparation Method, Pharmaceutical Composition And Use Thereof". Paragraph 0240; 0245. . Retrieved 2015/12/07.