2,3-Dihydropyrrolo[1,2-c]pyrimidine-1,4-dione

Base Information

• Chemical Name: 2,3-Dihydropyrrolo[1,2-c]pyrimidine-1,4-dione
• CAS No.: 223432-94-8
• Molecular Formula: C₇H₆N₂O₂
• Molecular Weight: 150.137
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80443931
• Mol file: 223432-94-8.mol

Synonyms:2,3-Dihydropyrrolo[1,2-c]pyrimidine-1,4-dione;223432-94-8;DTXSID80443931;AC5644;MFCD12923987;SY224768

Chemical Property of 2,3-Dihydropyrrolo[1,2-c]pyrimidine-1,4-dione

Chemical Property:

• PSA: 54.59000
• LogP: -0.11790
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.042927438
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dihydropyrrolo[1,2-c]pyrimidine-1,4-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)C2=CC=CN2C(=O)N1

Technology Process of 2,3-Dihydropyrrolo[1,2-c]pyrimidine-1,4-dione

There total 1 articles about 2,3-Dihydropyrrolo[1,2-c]pyrimidine-1,4-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: 52.0%

2-bromo-1-(1H-pyrrol-2-yl)ethanone (73742-16-2) + potassium cyanate → 2,3-Dihydro-pyrrolo[1,2-c]pyrimidine-1,4-dione (223432-94-8)

Guidance literature:

In acetonitrile; for 1h; Heating;

Reference yield: 83.0%

2,3-Dihydro-pyrrolo[1,2-c]pyrimidine-1,4-dione (223432-94-8) → 4-Hydroxy-3,4-dihydro-2H-pyrrolo[1,2-c]pyrimidin-1-one (223432-95-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.333333h;

Reference yield:

2,3-Dihydro-pyrrolo[1,2-c]pyrimidine-1,4-dione (223432-94-8) → pyrrolo[1,2-c]pyrimidin-1(2H)-one (223432-96-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / NaBH₄ / methanol / 0.33 h / 0 °C

2: 1.) Et₃N, MeSO₂Cl, 2.) NaOH / 1.) CH₂Cl₂, 0 deg C, 20 min, 2.) MeOH, 5 min

With sodium hydroxide; sodium tetrahydroborate; methanesulfonyl chloride; triethylamine; In methanol;

upstream raw materials:

2-bromo-1-(1H-pyrrol-2-yl)ethanone

Downstream raw materials:

4-Hydroxy-3,4-dihydro-2H-pyrrolo[1,2-c]pyrimidin-1-one

pyrrolo[1,2-c]pyrimidin-1(2H)-one

2-methylpyrrolo[1,2-c]pyrimidin-1(2H)-one