1-[4-Amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone

Base Information

• Chemical Name: 1-[4-Amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone
• CAS No.: 130102-91-9
• Molecular Formula: C13H12ClN3O
• Molecular Weight: 261.711
• DSSTox Substance ID: DTXSID00358275
• Wikidata: Q82138735
• ChEMBL ID: CHEMBL1610169

Synonyms:130102-91-9;1-[4-amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone;1-(4-Amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl)ethanone;HMS2637L19;Ethanone, 1-[4-amino-2-(4-chlorophenyl)-6-methyl-5-pyrimidinyl]-;MLS000684462;CHEMBL1610169;DTXSID00358275;MEYDQTXPLFHAEL-UHFFFAOYSA-N;HMS3359P14;AKOS024348627;SMR000269650;1-[4-amino-2-(4-chlorophenyl)-6-methyl-5-pyrimidinyl]ethanone;1-[4-AMINO-2-(4-CHLOROPHENYL)-6-METHYL-5-PYRIMIDINYL]-1-ETHANONE

Chemical Property of 1-[4-Amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 261.0668897
• Heavy Atom Count: 18
• Complexity: 305

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N)C(=O)C

Technology Process of 1-[4-Amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone

There total 1 articles about 1-[4-Amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone 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: 51.0%

acetylacetone (123-54-6,81235-32-7) + C8H6ClN3 → 5-acetyl-4-amino-2-(4-chlorophenyl)-6-methylpyrimidine (130102-91-9)

Guidance literature:

With nickel diacetate; at 130 - 140 ℃; for 5h;

DOI:10.1023/A:1021304619076

Reference yield: 85.0%

sodium methylate (124-41-4) + oxalic acid diethyl ester (95-92-1) + 5-acetyl-4-amino-2-(4-chlorophenyl)-6-methylpyrimidine (130102-91-9) → 2-(4-chloro-phenyl)-4-methyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-7-carboxylic acid methyl ester

Guidance literature:

In methanol; for 0.5h; Heating;

DOI:10.1023/A:1021304619076

Reference yield: 74.0%

ethyl acetoacetate (141-97-9) + 5-acetyl-4-amino-2-(4-chlorophenyl)-6-methylpyrimidine (130102-91-9) → 6-acetyl-2-(4-chlorophenyl)-4,5-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one

Guidance literature:

for 4h; Heating;

DOI:10.1007/s11172-005-0320-6

upstream raw materials:

acetylacetone

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