4,6-Dimethoxyisophthalic acid

Base Information

• Chemical Name: 4,6-Dimethoxyisophthalic acid
• CAS No.: 7168-99-2
• Molecular Formula: C10H10O6
• Molecular Weight: 226.186
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00562239
• Nikkaji Number: J2.881.027J
• Wikidata: Q82446313
• Mol file: 7168-99-2.mol

Synonyms:4,6-Dimethoxyisophthalic acid;7168-99-2;4,6-DIMETHOXY-ISOPHTHALIC ACID;4,6-Dimethoxybenzene-1,3-dicarboxylic acid;4,6-Dimethoxyisophthalicacid;SCHEMBL12444067;DTXSID00562239;MFCD08693290;AKOS000277734;CS-0331256

Chemical Property of 4,6-Dimethoxyisophthalic acid

Chemical Property:

• Melting Point: 266 °C
• Boiling Point: 416.9±45.0 °C(Predicted)
• PKA: 3.69±0.10(Predicted)
• PSA: 93.06000
• Density: 1.391±0.06 g/cm3(Predicted)
• LogP: 1.10020
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 226.04773803
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

≥90.0% ^*data from raw suppliers

4,6-Dimethoxy-isophthalicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C(=O)O)C(=O)O)OC

Technology Process of 4,6-Dimethoxyisophthalic acid

There total 13 articles about 4,6-Dimethoxyisophthalic 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: 92.1%

4,6-dimethoxyisophthalic acid dimethyl ester (14965-05-0) → 4,6-dimethoxy-isophthalic acid (7168-99-2)

Guidance literature:

With sodium hydroxide; In methanol; water; for 4h; Heating;

DOI:10.1021/jo050798a

Reference yield:

4,6-dihydroxyisophthalic acid ethyl ester + methyl iodide (74-88-4) → 4,6-dimethoxy-isophthalic acid (7168-99-2)

Guidance literature:

4,6-dihydroxyisophthalic acid ethyl ester; methyl iodide; With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 48h;

With sodium hydroxide; In methanol; Reflux;

Reference yield:

2,4-dimethoxybenzene-1,5-dialdehyde (28006-83-9) → 4,6-dimethoxy-isophthalic acid (7168-99-2)

Guidance literature:

With potassium permanganate;

DOI:10.1021/ja01163a052

upstream raw materials:

2,4-dimethoxybenzene-1,5-dialdehyde

methyl 5-cyano-2,4-dimethoxybenzoate

4,6-dihydroxyisophthalic acid

dimethyl sulfate

Downstream raw materials:

4,6-dimethoxyisophthalic acid dimethyl ester

4,6-dihydroxyisophthalic acid

4,6-Dimethoxy-5-nitro-isophthalsaeuredimethylester

4,6-dimethoxyisophthaloyl dichloride

Refernces

• 1、 -. "Aromatic amides metal ligand capable of forming intramolecular hydrogen bond and preparation method and application thereof". Paragraph 0048; 0049. . Retrieved 2019/02/19.