2-Methoxyterephthalic acid

Base Information

• Chemical Name: 2-Methoxyterephthalic acid
• CAS No.: 5156-00-3
• Molecular Formula: C9H8O5
• Molecular Weight: 196.16
• NSC Number: 137168
• DSSTox Substance ID: DTXSID80300479
• Nikkaji Number: J958.816G
• Wikidata: Q82043559
• Mol file: 5156-00-3.mol

Synonyms:2-methoxyterephthalic acid;5156-00-3;2-methoxybenzene-1,4-dicarboxylic acid;NSC137168;methoxyterephthalic acid;1,4-Benzenedicarboxylic acid, 2-methoxy-;2-methoxyterephthalicacid;SCHEMBL966378;DTXSID80300479;AMY28092;MFCD20638219;NSC-137168;AS-58855;CS-0061926;W17040

Chemical Property of 2-Methoxyterephthalic acid

Chemical Property:

• Vapor Pressure: 2.19E-07mmHg at 25°C
• Melting Point: 270-280 °C
• Boiling Point: 407.9°Cat760mmHg
• PKA: 3.67±0.10(Predicted)
• Flash Point: 169.1°C
• PSA: 83.83000
• Density: 1.416g/cm³
• LogP: 1.09160
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 196.03717335
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

99%, ^*data from raw suppliers

2-Methoxyterephthalicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)O)C(=O)O

Technology Process of 2-Methoxyterephthalic acid

There total 22 articles about 2-Methoxyterephthalic 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: 68.0%

carbon dioxide (124-38-9,18923-20-1) + methoxybenzene (100-66-3) → 2-methoxyterephthalic acid (5156-00-3)

Guidance literature:

methoxybenzene; With [Na₄Mg₂(2,2,6,6-tetramethylpiperidide)₆(n-butyl)₂]; In methyl cyclohexane; at 101 ℃; for 12h;

carbon dioxide; In water; methyl cyclohexane; regioselective reaction;

DOI:10.1126/science.1259662

Reference yield: 52.3%

2,5-Dimethyl-anisol (1706-11-2) → 2-methoxyterephthalic acid (5156-00-3)

Guidance literature:

With potassium permanganate; In water; for 5h; Heating;

DOI:10.1039/a703180g

Reference yield:

1,4-dimethyl 2-methoxybenzene-1,4-dicarboxylate (36727-17-0) → 2-methoxyterephthalic acid (5156-00-3)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

carvacrol methyl ether

4-(2-methoxy-4-methylphenyl)butyric acid

1,4-dimethyl 2-methoxybenzene-1,4-dicarboxylate

2-methoxy-4-methylbenzoic acid

Downstream raw materials:

1,4-dimethyl 2-methoxybenzene-1,4-dicarboxylate

methoxy-terephthalic acid diallyl ester

2-hydroxyterephthalic acid

methoxyterephthaloyl chloride

Refernces

• 1、 -. "BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING SAME". Paragraph 001077; 001078; 001080. . Retrieved 2019/06/05.
• 2、 Zhang, Damin,Guan, Yejun,Hensen, Emiel J. M.,Xue, Teng,Wang, Yimeng. "Tuning the hydrogenation activity of Pd NPs on Al-MIL-53 by linker modification". . p. 795 - 802. Retrieved 2014/03/21.