{[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxy}acetic acid

Base Information

Chemical Name:{[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxy}acetic acid
CAS No.:86627-27-2
Molecular Formula:C14H14ClN3O3
Molecular Weight:307.736
Hs Code.:
ChEMBL ID:CHEMBL274797
DSSTox Substance ID:DTXSID40540051
Wikidata:Q82415920

Synonyms:86627-27-2;CHEMBL274797;SCHEMBL10997198;DTXSID40540051;{[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxy}acetic acid

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

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Chemical Property of {[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxy}acetic acid

Chemical Property:

PSA：87.57000
LogP:2.37570
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:307.0723690
Heavy Atom Count:21
Complexity:358

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)OCC(=O)O)Cl)C

Technology Process of {[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxy}acetic acid

There total 6 articles about {[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxy}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: 94.0%

: 86627-26-1
ethyl 2-((4-chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)oxy)acetate

: 86627-27-2
2-((4-chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)oxy)acetic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; ethanol; water; at 20 ℃; for 16h;
DOI:10.1021/acs.jmedchem.8b01848

Reference yield:

: 86626-95-1
6-chloro-N-(2,3-dimethylphenyl)-2-(methylsulfanyl)pyrimidin-4-amine

: 86627-27-2
2-((4-chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)oxy)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / 30percent aq. H₂O₂, Na₂WO₄ / acetic acid / 16 h / 20 °C

2: 71 percent / NaH / 0.3 h / 20 °C

3: 90 percent / 1 N aq. NaOH / ethanol / 0.08 h / 60 °C

With sodium hydroxide; sodium tungstate; dihydrogen peroxide; sodium hydride; In ethanol; acetic acid;
DOI:10.1021/jm00378a016

Reference yield:

: 86627-00-1
6-chloro-N-(2,3-dimethylphenyl)-2-methylsulfonylpyrimidin-4-amine

: 86627-27-2
2-((4-chloro-6-((2,3-dimethylphenyl)amino)pyrimidin-2-yl)oxy)acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 71 percent / NaH / 0.3 h / 20 °C

2: 90 percent / 1 N aq. NaOH / ethanol / 0.08 h / 60 °C

With sodium hydroxide; sodium hydride; In ethanol;
DOI:10.1021/jm00378a016