1,2-Benzenedicarboxylic acid, 3,4,6-trifluoro-5-methoxy-

Base Information

• Chemical Name: 1,2-Benzenedicarboxylic acid, 3,4,6-trifluoro-5-methoxy-
• CAS No.: 28889-41-0
• Molecular Formula: C9H5F3O5
• Molecular Weight: 250.131
• DSSTox Substance ID: DTXSID50436693
• Mol file: 28889-41-0.mol

Synonyms:28889-41-0;1,2-Benzenedicarboxylic acid, 3,4,6-trifluoro-5-methoxy-;SCHEMBL8464230;DTXSID50436693;URINGSBVJMKMEV-UHFFFAOYSA-N;4-methoxy-3,5,6trifluorophthalic acid;3,5,6-trifluoro-4-methoxyphthalic acid;4-methoxy-3,5,6-trifluorophthalic acid

Chemical Property of 1,2-Benzenedicarboxylic acid, 3,4,6-trifluoro-5-methoxy-

Chemical Property:

• PSA: 83.83000
• LogP: 1.50890
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 250.00890774
• Heavy Atom Count: 17
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C(=C1F)F)C(=O)O)C(=O)O)F

Technology Process of 1,2-Benzenedicarboxylic acid, 3,4,6-trifluoro-5-methoxy-

There total 2 articles about 1,2-Benzenedicarboxylic acid, 3,4,6-trifluoro-5-methoxy- 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%

4-methoxy-3,5,6-trifluorophthalic acid-1-methyl ester (170574-01-3) → 4-methoxy-3,5,6-trifluorophthalic acid (28889-41-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide;

Reference yield: 68.0%

→ 4-methoxy-3,5,6-trifluorophthalic acid (28889-41-0)

Guidance literature:

Reference yield: 87.0%

Tri-n-octylamine (1116-76-3) + 4-methoxy-3,5,6-trifluorophthalic acid (28889-41-0) → 3-methoxy-2,4,5-trifluorobenzoic acid (112811-65-1)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

4-methoxy-3,5,6-trifluorophthalic acid-1-methyl ester

Downstream raw materials:

3-methoxy-2,4,5-trifluorobenzoic acid

2,4,5-trifluoro-3-hydroxybenzoic acid

Refernces

• 1、 -. "Method of making 3-methoxy-2,4,5-trifluorobenzoic acid". . . Retrieved 2008/06/13.