2H-Cyclohepta[4,5]furo[2,3-d]pyrimidine-2,4(3H)-dione, 1,5-dihydro-1,3-dimethyl-5-(phenylthio)- (9CI)

Base Information

• Chemical Name: 2H-Cyclohepta[4,5]furo[2,3-d]pyrimidine-2,4(3H)-dione, 1,5-dihydro-1,3-dimethyl-5-(phenylthio)- (9CI)
• CAS No.: 548475-61-2
• Molecular Formula: C19H16N2O3S
• Molecular Weight: 352.41
• Mol file: 548475-61-2.mol

Synonyms:2H-Cyclohepta[4,5]furo[2,3-d]pyrimidine-2,4(3H)-dione, 1,5-dihydro-1,3-dimethyl-5-(phenylthio)- (9CI)

Chemical Property of 2H-Cyclohepta[4,5]furo[2,3-d]pyrimidine-2,4(3H)-dione, 1,5-dihydro-1,3-dimethyl-5-(phenylthio)- (9CI)

Chemical Property:

• PSA: 82.44000
• LogP: 3.24660

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2H-Cyclohepta[4,5]furo[2,3-d]pyrimidine-2,4(3H)-dione, 1,5-dihydro-1,3-dimethyl-5-(phenylthio)- (9CI)

There total 8 articles about 2H-Cyclohepta[4,5]furo[2,3-d]pyrimidine-2,4(3H)-dione, 1,5-dihydro-1,3-dimethyl-5-(phenylthio)- (9CI) 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:

thiophenol (108-98-5) + 7,9-dimethylcyclohepta[b]pyrimido[5,4-d]furan-8(7H),10(9H)-dionylium tetrafluoroborate → 3,7-dihydro-7,9-dimethyl-3-phenylthiocyclohepta[b]pyrimido[5,4-d]furan-8(7H),10(9H)-dione (548475-62-3) + 1,7-dihydro-7,9-dimethyl-1-phenylthiocyclohepta[b]pyrimido[5,4-d]furan-8(7H),10(9H)-dione (548475-61-2)

Guidance literature:

With sodium hydrogencarbonate; In acetonitrile; at 20 ℃; for 1h; Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(03)00118-2

Reference yield:

1,3-dimethylbarbituric acid (769-42-6) → 1,7-dihydro-7,9-dimethyl-1-phenylthiocyclohepta[b]pyrimido[5,4-d]furan-8(7H),10(9H)-dione (548475-61-2)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂ / 24 h / 20 °C

2: 3.00 g / propanoic anhydride; HBF₄ / H₂O / 1 h / 0 °C

3: NaHCO₃ / acetonitrile / 1 h / 20 °C

With tetrafluoroboric acid; sodium hydrogencarbonate; propionic acid anhydride; In dichloromethane; water; acetonitrile;

DOI:10.1016/S0040-4020(03)00118-2

Reference yield:

1,3-dimethyl-5-(1'-oxocycloheptatrien-2'-yl)-pyrimidine-2(1H),4(3H),6(5H)-trione (548475-44-1) → 1,7-dihydro-7,9-dimethyl-1-phenylthiocyclohepta[b]pyrimido[5,4-d]furan-8(7H),10(9H)-dione (548475-61-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / propanoic anhydride; HBF₄ / H₂O / 1 h / 0 °C

2: NaHCO₃ / acetonitrile / 1 h / 20 °C

With tetrafluoroboric acid; sodium hydrogencarbonate; propionic acid anhydride; In water; acetonitrile;

DOI:10.1016/S0040-4020(03)00118-2

upstream raw materials:

thiophenol

1,3-dimethylbarbituric acid

2-chlorotropone

1,3-dimethyl-5-(1'-oxocycloheptatrien-2'-yl)-pyrimidine-2(1H),4(3H),6(5H)-trione