{[5-Acetyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetic acid

Base Information

Chemical Name:{[5-Acetyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetic acid
CAS No.:120996-92-1
Molecular Formula:C₁₆H₁₆N₂O₄S
Molecular Weight:332.38
Hs Code.:
DSSTox Substance ID:DTXSID30557936
Wikidata:Q82440013

Synonyms:120996-92-1;DTXSID30557936;{[5-Acetyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetic acid

Suppliers and Price of {[5-Acetyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of {[5-Acetyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetic acid

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:332.08307817
Heavy Atom Count:23
Complexity:426

Purity/Quality:

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)OC)SCC(=O)O)C(=O)C

Technology Process of {[5-Acetyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetic acid

There total 1 articles about {[5-Acetyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetic acid 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: 86.0%

: 13995-79-4
1-[4-Mercapto-2-(4-methoxy-phenyl)-6-methyl-pyrimidin-5-yl]-ethanone

: 79-11-8
chloroacetic acid

: 120996-92-1
[5-Acetyl-2-(4-methoxy-phenyl)-6-methyl-pyrimidin-4-ylsulfanyl]-acetic acid

Guidance literature:: With sodium carbonate; for 0.333333h; Heating;

Reference yield:

: 120996-92-1
[5-Acetyl-2-(4-methoxy-phenyl)-6-methyl-pyrimidin-4-ylsulfanyl]-acetic acid

: 132606-50-9
2-[5-Acetyl-2-(4-methoxy-phenyl)-6-methyl-pyrimidin-4-ylsulfanyl]-N-(3-acetyl-phenyl)-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 1 h / Heating

2: 34 percent / benzene / 2 h / 80 °C

With thionyl chloride; In benzene; 1: Substitution / 2: Acylation;

Reference yield:

: 120996-92-1
[5-Acetyl-2-(4-methoxy-phenyl)-6-methyl-pyrimidin-4-ylsulfanyl]-acetic acid

: 132606-49-6
2-[5-Acetyl-2-(4-methoxy-phenyl)-6-methyl-pyrimidin-4-ylsulfanyl]-N-(4-acetyl-phenyl)-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 1 h / Heating

2: 27 percent / benzene / 2 h / 80 °C

With thionyl chloride; In benzene; 1: Substitution / 2: Acylation;