6-benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione

Base Information

• Chemical Name: 6-benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione
• CAS No.: 635698-34-9
• Molecular Formula: C13H13 N3 O2
• Molecular Weight: 243.265
• Hs Code.: 2933990090
• Mol file: 635698-34-9.mol

Synonyms:6-benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione;

Chemical Property of 6-benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione

Chemical Property:

• Refractive Index: 1.669
• PKA: 10.07±0.20(Predicted)
• PSA: 68.96000
• Density: 1.37g/cm³
• LogP: 0.51690
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione

There total 2 articles about 6-benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-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: 43.0%

1-Benzyl-4-oxo-pyrrolidine-3-carboxylic Acid Ethyl Ester (1027-35-6) + urea (57-13-6) → 6-benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4(1H,3H)-dione (635698-34-9)

Guidance literature:

With sodium methylate; In methanol; ethanol; for 24h; Heating / reflux;

Reference yield:

ethyl-3-benzylamino propionate (23583-21-3) → 6-benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4(1H,3H)-dione (635698-34-9)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate; sodium iodide / butanone / Heating / reflux

2: potassium tert-butylate / toluene / 2 h / 0 °C

3: sodium methylate / methanol; ethanol / 24 h / Heating / reflux

With potassium tert-butylate; sodium methylate; potassium carbonate; sodium iodide; In methanol; ethanol; toluene; butanone;

Reference yield: 39.0%

6-benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4(1H,3H)-dione (635698-34-9) → 6-benzyl-2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride

Guidance literature:

With trichlorophosphate; for 8h; Heating / reflux;

upstream raw materials:

1-Benzyl-4-oxo-pyrrolidine-3-carboxylic Acid Ethyl Ester

urea

ethyl-3-benzylamino propionate

Downstream raw materials:

2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride