6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione

Base Information

• Chemical Name: 6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione
• CAS No.: 58137-45-4
• Molecular Formula: C11H10ClN3O2
• Molecular Weight: 251.672
• DSSTox Substance ID: DTXSID101332120
• Nikkaji Number: J1.410.732K
• ChEMBL ID: CHEMBL1490697

Synonyms:58137-45-4;6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione;6-(4-chloroanilino)-3-methyl-1H-pyrimidine-2,4-dione;6-[(4-chlorophenyl)amino]-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;6-((4-Chlorophenyl)amino)-3-methylpyrimidine-2,4(1H,3H)-dione;6-[(4-chlorophenyl)amino]-3-methylpyrimidine-2,4(1H,3H)-dione;CBMicro_030016;Cambridge id 5739078;Oprea1_119812;Oprea1_125381;MLS001195523;SCHEMBL5307016;CHEMBL1490697;DTXSID101332120;HMS2865M20;MFCD01166699;STK177269;AKOS000714865;MS-1856;SMR000550721;BIM-0029904.P001;CS-0326936;EU-0004840;AB00095357-01

Chemical Property of 6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 251.0461543
• Heavy Atom Count: 17
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C(=O)C=C(NC1=O)NC2=CC=C(C=C2)Cl

Technology Process of 6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione

There total 2 articles about 6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione 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: 74.0%

4-chloro-aniline (106-47-8) + 3-methyl-6-chlorouracil (4318-56-3) → 6-(4'-chloroanilino)-3-methylpyrimidine-2,4(1H,3H)-dione (58137-45-4)

Guidance literature:

at 160 - 170 ℃; for 0.166667h;

Reference yield:

→ 6-(4'-chloroanilino)-3-methylpyrimidine-2,4(1H,3H)-dione (58137-45-4)

Guidance literature:

3-Methyl-6-amino-uracil, 4-Chloranilin*HCl;

Reference yield: 96.0%

2,4-dichlorobenzaldeyhde (874-42-0) + 6-(4'-chloroanilino)-3-methylpyrimidine-2,4(1H,3H)-dione (58137-45-4) → 8-Chloro-10-(4-chloro-phenyl)-3-methyl-10H-pyrimido[4,5-b]quinoline-2,4-dione (90987-50-1)

Guidance literature:

In N,N-dimethyl-formamide; for 5h; Heating;

upstream raw materials:

4-chloro-aniline

3-methyl-6-chlorouracil

Downstream raw materials:

10-(4-chloro-phenyl)-3-methyl-10H-pyrimido[4,5-b]quinoline-2,4-dione

C₂₉H₂₄Cl₂N₆O₄

8-Chloro-10-(4-chloro-phenyl)-3-methyl-10H-pyrimido[4,5-b]quinoline-2,4-dione

10-(4-Chlorophenyl)-3,7-dimethylpyrido<2,3-d:6,5-d'>pyrimidine

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