6-Anilino-2-thiouracil

Base Information

• Chemical Name: 6-Anilino-2-thiouracil
• CAS No.: 98421-02-4
• Molecular Formula: C10H9N3OS
• Molecular Weight: 219.267
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20243573
• Nikkaji Number: J1.903.022I
• ChEMBL ID: CHEMBL47789
• Mol file: 98421-02-4.mol

Synonyms:6-anilino-2-thiouracil;ATU-6,2

Chemical Property of 6-Anilino-2-thiouracil

Chemical Property:

• PSA: 96.84000
• Density: 1.4g/cm³
• LogP: 2.28750
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.04663309
• Heavy Atom Count: 15
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=CC(=O)NC(=S)N2

Technology Process of 6-Anilino-2-thiouracil

There total 2 articles about 6-Anilino-2-thiouracil 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: 83.0%

6-Amino-2-thiouracil (1004-40-6) + aniline (62-53-3) → 1,2-dihydro-6-(phenylamino)-2-thioxopyrimidin-4(3H)-one (98421-02-4)

Guidance literature:

With phenylammonium chloride; at 170 ℃; for 12h;

DOI:10.1016/j.bmc.2007.10.014

Reference yield: 78.0%

6-Amino-2-thiouracil (1004-40-6) + aniline hydrochloride (142-04-1,36663-09-9) → 1,2-dihydro-6-(phenylamino)-2-thioxopyrimidin-4(3H)-one (98421-02-4)

Guidance literature:

With aniline; at 170 ℃; for 7.5h;

Reference yield: 90.0%

1,2-dihydro-6-(phenylamino)-2-thioxopyrimidin-4(3H)-one (98421-02-4) + methyl iodide (74-88-4) → 6-anilino-2-methylthio-4-oxo-3,4-dihydropyrimidine (1015763-70-8)

Guidance literature:

With potassium hydroxide; at 0 - 5 ℃; for 0.5h;

DOI:10.1016/j.bmc.2007.10.014

upstream raw materials:

6-Amino-2-thiouracil

aniline hydrochloride

aniline

Downstream raw materials:

ethyl (1-phenyl-7-phenylamino-5-oxo-1,2,4-triazolo[4,3-a]pyrimidin-3-yl)carboxylate

1,2-dihydro-5-nitroso-6-(phenylamino)-2-thioxopyrimidin-4(3H)-one

ethyl (1-(p-chlorophenyl)-7-phenylamino-5-oxo-1,2,4-triazolo[4,3-a]pyrimidin-3-yl)carboxylate

methyl 5-oxo-1-phenyl-7-(phenylamino)-1,2,4-triazolo[4,3-a]pyrimidine-3-carboxylate

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