4-Anilino-2-phenyl-7-sulfanylidenefuro[3,4-d]pyrimidin-5(7H)-one

Base Information

• Chemical Name: 4-Anilino-2-phenyl-7-sulfanylidenefuro[3,4-d]pyrimidin-5(7H)-one
• CAS No.: 104824-50-2
• Molecular Formula: C18H11N3O2S
• Molecular Weight: 333.37
• DSSTox Substance ID: DTXSID70544582
• Wikidata: Q82421732
• Mol file: 104824-50-2.mol

Synonyms:104824-50-2;2-phenyl-4-(phenylamino)-7-thioxofuro[3,4-d]pyrimidin-5(7H)-one;SCHEMBL14183595;DTXSID70544582;4-Anilino-2-phenyl-7-sulfanylidenefuro[3,4-d]pyrimidin-5(7H)-one

Chemical Property of 4-Anilino-2-phenyl-7-sulfanylidenefuro[3,4-d]pyrimidin-5(7H)-one

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 333.05719778
• Heavy Atom Count: 24
• Complexity: 489

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C(=N2)NC4=CC=CC=C4)C(=O)OC3=S

Technology Process of 4-Anilino-2-phenyl-7-sulfanylidenefuro[3,4-d]pyrimidin-5(7H)-one

There total 1 articles about 4-Anilino-2-phenyl-7-sulfanylidenefuro[3,4-d]pyrimidin-5(7H)-one 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: 73.0%

6-methyl-2-phenyl-4-phenylamino-5-pyrimidine carboxylic acid (94036-95-0) → 5-Oxo-2-phenyl-4-phenylamino-7-thioxo-5,7-dihydrofuro<3,4-d>pyrimidine (104824-50-2)

Guidance literature:

With thionyl chloride; In benzene; for 4h; Heating;

DOI:10.1055/s-1986-31502

Reference yield: 82.0%

5-Oxo-2-phenyl-4-phenylamino-7-thioxo-5,7-dihydrofuro<3,4-d>pyrimidine (104824-50-2) + ethylamine (75-04-7,85404-22-4) → 5,7-Bis-2-phenyl-4-phenylamino-5,7-dihydrofuro<3,4-d>pyrimidine (104824-55-7)

Guidance literature:

In chloroform; for 8h; Heating;

DOI:10.1055/s-1986-31502

Reference yield: 62.0%

5-Oxo-2-phenyl-4-phenylamino-7-thioxo-5,7-dihydrofuro<3,4-d>pyrimidine (104824-50-2) + 4-chloro-aniline (106-47-8) → 5,7-Bis<4-chlorophenylimino>-2-phenyl-4-phenylamino-5,7-dihydrofuro<3,4-d>pyrimidine (104824-54-6)

Guidance literature:

In chloroform; for 8h; Heating;

DOI:10.1055/s-1986-31502

upstream raw materials:

6-methyl-2-phenyl-4-phenylamino-5-pyrimidine carboxylic acid

Downstream raw materials:

5,7-Bis<4-chlorophenylimino>-2-phenyl-4-phenylamino-5,7-dihydrofuro<3,4-d>pyrimidine

5,7-Bis-2-phenyl-4-phenylamino-5,7-dihydrofuro<3,4-d>pyrimidine

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