4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine

Base Information

• Chemical Name: 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine
• CAS No.: 169772-17-2
• Molecular Formula: C₁₃H₁₄N₂OS
• Molecular Weight: 246.333
• DSSTox Substance ID: DTXSID801144049
• Nikkaji Number: J690.788A
• ChEMBL ID: CHEMBL109807

Synonyms:BDBM2433;CHEMBL109807;SCHEMBL20828262;DTXSID801144049;4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine;5-methyl-6-(m-tolylmethyl)-2-thioxo-1H-pyrimidin-4-one;4-Hydroxy-2-mercapto-5-methyl-6-(3'-methylbenzyl)pyrimidine;1,2-Dihydro-2-thioxo-5-methyl-6-(3-methylbenzyl)pyrimidin-4(3H)-one;2,3-Dihydro-5-methyl-6-[(3-methylphenyl)methyl]-2-thioxo-4(1H)-pyrimidinone;5-methyl-6-[(3-methylphenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one;169772-17-2

Chemical Property of 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.08268425
• Heavy Atom Count: 17
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)CC2=C(C(=O)NC(=S)N2)C

Technology Process of 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine

There total 1 articles about 4-Hydroxy-2-mercapto-5-methyl-6-(3-methylbenzyl)pyrimidine 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: 49.0%

thiourea (17356-08-0) + methyl methyl((3'-methylphenyl)acetyl)acetate → 4-hydroxy-2-mercapto-5-methyl-6-(3'-methylbenzyl)pyrimidine (169772-17-2)

Guidance literature:

With sodium; In methanol; for 5h; Heating;

DOI:10.1021/jm00017a010

Reference yield: 97.0%

4-hydroxy-2-mercapto-5-methyl-6-(3'-methylbenzyl)pyrimidine (169772-17-2) + methyl iodide (74-88-4) → 5-Methyl-6-(3-methyl-benzyl)-2-methylsulfanyl-3H-pyrimidin-4-one

Guidance literature:

In N,N-dimethyl-formamide; for 3h; Ambient temperature;

DOI:10.1021/jm00017a010

Reference yield: 94.0%

4-hydroxy-2-mercapto-5-methyl-6-(3'-methylbenzyl)pyrimidine (169772-17-2) → 2-Isopropylsulfanyl-5-methyl-6-(3-methyl-benzyl)-3H-pyrimidin-4-one

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 8h; Ambient temperature;

DOI:10.1021/jm00017a010

upstream raw materials:

thiourea

Downstream raw materials:

2-Cyclohexylsulfanyl-5-methyl-6-(3-methyl-benzyl)-3H-pyrimidin-4-one

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