4-Methoxyisophthalic acid

Base Information

• Chemical Name: 4-Methoxyisophthalic acid
• CAS No.: 2206-43-1
• Molecular Formula: C9H8O5
• Molecular Weight: 196.16
• Hs Code.: 2918990090
• European Community (EC) Number: 218-618-6
• NSC Number: 20694
• UNII: 444QLG5YMS
• DSSTox Substance ID: DTXSID70176549
• Nikkaji Number: J299.158F
• Wikidata: Q72490133
• Mol file: 2206-43-1.mol

Synonyms:4-Methoxyisophthalic acid;2206-43-1;4-methoxybenzene-1,3-dicarboxylic acid;1,3-Benzenedicarboxylic acid, 4-methoxy-;444QLG5YMS;NSC-20694;4-methoxy-1,3-benzenedicarboxylic acid;4-Methoxy-1,3-benzenedicarboxylic acid;2-Methoxy-1,5-benzenedicarboxylic acid;NSC 20694;Picotamide impurity A;4-Methoxyisophthalicacid;4-Methoxy-isophthalic acid;UNII-444QLG5YMS;SCHEMBL901309;4-Methoxyisophthalic acid, 97%;DTXSID70176549;NSC20694;EINECS 218-618-6;MFCD06208422;AKOS005146551;AC-1217;AM84783;AS-18959;CS-0018887;FT-0646021;W12599;W-107506;Picotamide impurity A, European Pharmacopoeia (EP) Reference Standard

Chemical Property of 4-Methoxyisophthalic acid

Chemical Property:

• Vapor Pressure: 2.21E-07mmHg at 25°C
• Melting Point: 275-280 °C(lit.)
• Refractive Index: 1.59
• Boiling Point: 407.807 °C at 760 mmHg
• Flash Point: 169.055 °C
• PSA: 83.83000
• Density: 1.416 g/cm³
• LogP: 1.09160
• XLogP3: 1.1
• 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

4-Methoxyisophthalic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Methoxyisophthalic acid

There total 50 articles about 4-Methoxyisophthalic 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: 90.0%

dimethyl 4-methoxyisophthalate (22955-73-3) → 4-methoxyisophthalic acid (2206-43-1)

Guidance literature:

With water; sodium hydroxide; at 80 ℃; for 2h;

Reference yield: 69.6%

2-acetyl-4-methylanisole (20628-07-3) → 4-methoxyisophthalic acid (2206-43-1)

Guidance literature:

2-acetyl-4-methylanisole; With sodium hydroxide; In water; at 20 - 80 ℃; for 3.5h;

With potassium permanganate; In water;

DOI:10.1134/S1070428017030241

Reference yield: 49.56%

2,4-dimethylanisole (6738-23-4) → 4-methoxyisophthalic acid (2206-43-1)

Guidance literature:

With potassium permanganate; In water; at 70 - 80 ℃;

DOI:10.1007/s00044-019-02381-x

upstream raw materials:

5-Chloromethyl-2-methoxybenzaldehyde

3-methyl-4-methoxybenzyl chloride

3-(chloromethyl)-4-methoxybenzaldehyde

2,4-dimethylanisole

Downstream raw materials:

4-methoxy-isophthalic acid dioctyl ester

methyl 4-methoxy-3-(3-pyridinylmethylaminocarbonyl)benzoate

4-methoxy-3-(methoxycarbonyl)benzoic acid

Refernces

• 1、 Lauer,Johnson. "-". . p. 2913. Retrieved 1963.
• 2、 Chen, Guangling,Wang, Chaoqing,Zhang, Zhihao,Liu, Xiujie. "Synthesis and in vitro activities on anti-platelet aggregation of 4-methoxy-1,3-phthalamidesamides and benzenedisulfonamides". . p. 1413 - 1424. Retrieved 2019/06/20.
• 3、 Liu, Xiujie,Wang, Yan,Liu, Lili,Chen, Guangling. "Synthesis and in vitro activities on anti-platelet aggregation of 4-methoxyisophthalamides". . p. 1971 - 1983. Retrieved 2018/07/02.