2,5-Dimethoxyterephthalic acid

Base Information

• Chemical Name: 2,5-Dimethoxyterephthalic acid
• CAS No.: 21004-11-5
• Molecular Formula: C10H10O6
• Molecular Weight: 226.186
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20396331
• Nikkaji Number: J83.051H
• Wikidata: Q82196987
• Mol file: 21004-11-5.mol

Synonyms:2,5-Dimethoxyterephthalic acid;21004-11-5;1,4-Benzenedicarboxylic acid, 2,5-dimethoxy-;2,5-dimethoxybenzene-1,4-dicarboxylic acid;2,5-Dimethoxy-1,4-benzenedicarboxylic acid;YSZC771;2,5-Dimethoxyterephthalicacid;SCHEMBL2830233;DTXSID20396331;PXSHXQQBOGFGTK-UHFFFAOYSA-N;BBL036232;STL445246;AKOS022655654;VS-13374;CS-0170468

Chemical Property of 2,5-Dimethoxyterephthalic acid

Chemical Property:

• Melting Point: 265 °C
• Boiling Point: 434.1±45.0 °C(Predicted)
• PKA: 3.26±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: 249

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Dimethoxyterephthalic acid

There total 24 articles about 2,5-Dimethoxyterephthalic 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: 100.0%

2,5-dimethoxyterephthalic acid dimethyl ester (21004-12-6) → 2,5-dimethoxyterephthalic acid (21004-11-5)

Guidance literature:

With lithium hydroxide monohydrate; water; In tetrahydrofuran; for 4h; Inert atmosphere; Reflux;

DOI:10.1002/asia.201801619

Reference yield: 94.0%

diethyl-2,5-dimethoxy-1,4-benzenedicarboxylate (173267-23-7) → 2,5-dimethoxyterephthalic acid (21004-11-5)

Guidance literature:

With potassium hydroxide; In ethylene glycol; at 100 ℃;

DOI:10.1039/b108728m

Reference yield: 91.0%

2,5-Dihydroxybenzol-1,4-dicarbonsaeure-dimethylester (5870-37-1) + methyl iodide (74-88-4) → 2,5-dimethoxyterephthalic acid (21004-11-5)

Guidance literature:

2,5-Dihydroxybenzol-1,4-dicarbonsaeure-dimethylester; methyl iodide; With potassium carbonate; In N,N-dimethyl-formamide; at 85 ℃; Schlenk technique;

With sodium hydroxide; In water; Reflux;

DOI:10.1021/acs.inorgchem.9b01128

upstream raw materials:

4-methyl-2,5-dimethoxy-benzoic acid

1,4-dihydroxymethyl-2,5-dimethoxybenzaldehyde

diethyl-2,5-dimethoxy-1,4-benzenedicarboxylate

2,5-bis(ethoxymethyl)-1,4-dimethoxybenzene

Downstream raw materials:

poly[(μ4-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)]

poly[(μ4-2,5-dimethoxybenzene-1,4-dicarboxylato)zinc(II)]

Refernces

• 1、 Choi, Jiyoon,Ha, Hyeonbin,Kim, Dongwook,Kim, Dopil,Kim, Hyungjun,Kim, Min,Kim, Youngik,Kim, Youngjo,Park, Myung Hwan,Son, Younghu,Yoon, Minyoung. "Experimental, Structural, and Computational Investigation of Mixed Metal-Organic Frameworks from Regioisomeric Ligands for Porosity Control". . p. 5338 - 5345. Retrieved 2020/09/03.
• 2、 Shimizu, Masaki,Shigitani, Ryosuke,Kinoshita, Takumi,Sakaguchi, Hiroshi. "(Poly)terephthalates with Efficient Blue Emission in the Solid State". . p. 1792 - 1800. Retrieved 2019/01/08.