4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid

Base Information

Chemical Name:4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid
CAS No.:919116-69-1
Molecular Formula:C11H9N3O3
Molecular Weight:231.211
Hs Code.:
DSSTox Substance ID:DTXSID00362796
Wikidata:Q82146217

Synonyms:AC1LQN6R;919116-69-1;SCHEMBL578958;SCHEMBL17512579;DTXSID00362796;4-((4-Hydroxvpyrimidin-2-yl)amino)benzoic acid;4-((4-hydroxypyrimidin-2-yl)amino)benzoic acid

Suppliers and Price of 4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid

Supply Marketing:

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

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Chemical Property of 4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid

Chemical Property:

XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:231.06439116
Heavy Atom Count:17
Complexity:381

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)O)NC2=NC=CC(=O)N2

Technology Process of 4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid

There total 3 articles about 4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzoic 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: 79.0%

: 5751-20-2,124700-69-2
2-Methylthiouracil

: 150-13-0,159246-81-8,8014-65-1
4-amino-benzoic acid

: 919116-69-1
4-(6-oxo-1,6-dihydro-pyrimidin-2-ylamino)-benzoic acid

Guidance literature:: In diglyme (diethyleneglycol dimethylether); for 16h; Heating / reflux;

Reference yield:

: 873225-52-6
4-(4-hydroxy-pyrimidin-2-ylamino)-benzoic acid methyl ester

: 919116-69-1
4-((4-hydroxypyrimidin-2-yl)amino)benzoic acid

Guidance literature:: With sodium hydroxide; In water;
DOI:10.1016/j.bmcl.2005.09.035

Reference yield:

: 619-45-4
4-methoxycarbonyl aniline

: 919116-69-1
4-((4-hydroxypyrimidin-2-yl)amino)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1,3-dimethylimidazolidin-2-one / 170 °C

2: NaOH / H₂O

With 1,3-dimethyl-2-imidazolidinone; sodium hydroxide; In water;
DOI:10.1016/j.bmcl.2005.09.035