2-Chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid

Base Information

• Chemical Name: 2-Chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
• CAS No.: 113761-80-1
• Molecular Formula: C13H11ClN2O5
• Molecular Weight: 310.694
• ChEMBL ID: CHEMBL2289343
• DSSTox Substance ID: DTXSID90575732
• Nikkaji Number: J579.362I
• Wikidata: Q82465150
• Mol file: 113761-80-1.mol

Synonyms:113761-80-1;2-Chloro-6-((4,6-dimethoxypyrimidin-2-yl)oxy)benzoic acid;2-Chloro-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid;2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid;SCHEMBL8939116;CHEMBL2289343;DTXSID90575732;LJSAQLRCMQXRTJ-UHFFFAOYSA-N;6-chloro-2 -(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid;6-chloro-2-(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid;6-chloro-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid

Chemical Property of 2-Chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 310.0356491
• Heavy Atom Count: 21
• Complexity: 348

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)Cl)C(=O)O)OC

Technology Process of 2-Chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid

There total 2 articles about 2-Chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic 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:

methanol (67-56-1) + benzyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoate (113763-64-7) → 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoic acid (113761-80-1)

Guidance literature:

With acetic acid; Pd-C; In ethyl acetate;

Reference yield:

heptahydrate + 6-chloro-2-(4,6-dimethoxypyrimidin-2-yloxy)benzaldehyde + sodium phosphate → 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoic acid (113761-80-1)

Guidance literature:

With potassium permanganate; sodium thiosulfate; In water; acetone;

Reference yield: 90.0%

4,4'-thiobispyridine (37968-97-1) + 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoic acid (113761-80-1) → 6-chloro-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid pyridin-4-ylthio ester

Guidance literature:

With triphenylphosphine; In toluene;

upstream raw materials:

methanol

benzyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoate

Downstream raw materials:

sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoate

cyanomethyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoate

phenylthiomethyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoate

(m-tolylthio)methyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy benzoate

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