Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, methyl ester
• CAS No.: 110284-90-7
• Molecular Formula: C14H14N2O5
• Molecular Weight: 290.276
• DSSTox Substance ID: DTXSID10361053
• Nikkaji Number: J754.591F
• Wikidata: Q82143164
• Mol file: 110284-90-7.mol

Synonyms:110284-90-7;Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, methyl ester;Methyl 2-((4,6-dimethoxypyrimidin-2-yl)oxy)benzoate;Methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate;SCHEMBL2976362;DTXSID10361053;SR-01000385754;SR-01000385754-1;2-(4,6-Dimethoxypyrimidine-2-yloxy)benzoic acid methyl ester

Chemical Property of Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, methyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 290.09027155
• Heavy Atom Count: 21
• Complexity: 329

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)OC)OC

Technology Process of Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, methyl ester

There total 5 articles about Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, methyl ester 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: 77.0%

2-chloro-4,6-dimethoxypyrimidine (13223-25-1) + methyl salicylate (119-36-8,8024-54-2) → methyl 2-(4',6'-dimethoxypyrimidine-2'-yl)oxybenzoate (110284-90-7)

Guidance literature:

With sodium methansulfinate; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 1.5h;

DOI:10.1016/S0040-4020(00)00390-2

Reference yield:

4,6-dimethoxypyrimidin-2-yl methyl sulfone (113583-35-0) + methyl salicylate (119-36-8,8024-54-2) → methyl 2-(4',6'-dimethoxypyrimidine-2'-yl)oxybenzoate (110284-90-7)

Guidance literature:

methyl salicylate; With potassium carbonate; at 20 ℃; for 1h;

4,6-dimethoxypyrimidin-2-yl methyl sulfone; at 20 ℃; for 18h;

DOI:10.1080/10426507.2010.511512

Reference yield:

sodium methansulfinate (20277-69-4) + 2-chloro-4,6-dimethoxypyrimidine (13223-25-1) + methyl salicylate (119-36-8,8024-54-2) → methyl 2-(4',6'-dimethoxypyrimidine-2'-yl)oxybenzoate (110284-90-7)

Guidance literature:

potassium carbonate; In dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

2-chloro-4,6-dimethoxypyrimidine

methyl salicylate

sodium methansulfinate

4,6-dimethoxypyrimidin-2-yl methyl sulfone

Downstream raw materials:

2-(4',6'-dimethoxypyrimidine-2'-yl)oxy-benzoic acid

O,O-dimethyl [2-(4,6-dimethoxypyrimidin-2-yloxy)phenoxyamino](phenyl)methylphosphonate

O,O-dimethyl [2-(4,6-dimethoxypyrimidin-2-yloxy)phenoxyamino](p-tolyl)methylphosphonate

O,O-dimethyl [2-(4,6-dimethoxypyrimidin-2-yloxy)phenoxyamino](4-chlorophenyl)methylphosphonate