2-[(4-Chlorophenyl)amino]-4-pyrimidinecarboxylic acid

Base Information

Chemical Name:2-[(4-Chlorophenyl)amino]-4-pyrimidinecarboxylic acid
CAS No.:75825-56-8
Molecular Formula:C₁₁H₈ClN₃O₂
Molecular Weight:249.656
Hs Code.:
DSSTox Substance ID:DTXSID501216316

Synonyms:75825-56-8;2-[(4-Chlorophenyl)amino]-4-pyrimidinecarboxylic acid;DTXSID501216316;AKOS022664223;2-[(4-chlorophenyl)amino]pyrimidine-4-carboxylic acid

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Chemical Property of 2-[(4-Chlorophenyl)amino]-4-pyrimidinecarboxylic acid

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:249.0305042
Heavy Atom Count:17
Complexity:269

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1NC2=NC=CC(=N2)C(=O)O)Cl

Technology Process of 2-[(4-Chlorophenyl)amino]-4-pyrimidinecarboxylic acid

There total 3 articles about 2-[(4-Chlorophenyl)amino]-4-pyrimidinecarboxylic 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: 63.5%

: 75825-51-3
2-(4-chlorophenylamino)pyrimidine-4-carbonitrile

: 75825-56-8
2-(4-Chloro-phenylamino)-pyrimidine-4-carboxylic acid

Guidance literature:: With sodium hydroxide; at 70 ℃; for 3h;

Reference yield:

: 106-47-8
4-chloro-aniline

: 75825-56-8
2-(4-Chloro-phenylamino)-pyrimidine-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / ethanol / 1 h / Heating

2: 63.5 percent / 5percent aq. NaOH / 3 h / 70 °C

With sodium hydroxide; In ethanol;

Reference yield:

: 75833-38-4
2-chloro-pyrimidine-4-carbonitrile

: 75825-56-8
2-(4-Chloro-phenylamino)-pyrimidine-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / ethanol / 1 h / Heating

2: 63.5 percent / 5percent aq. NaOH / 3 h / 70 °C

With sodium hydroxide; In ethanol;