2-Methoxyisophthalic acid

Base Information

• Chemical Name: 2-Methoxyisophthalic acid
• CAS No.: 1951-38-8
• Molecular Formula: C9H8O5
• Molecular Weight: 196.16
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00404246
• Nikkaji Number: J43.215F
• Wikidata: Q82208330
• Mol file: 1951-38-8.mol

Synonyms:2-Methoxyisophthalic acid;1951-38-8;2-methoxybenzene-1,3-dicarboxylic Acid;MFCD00134097;2-methoxy isophthalic acid;methoxyisophthalic acid;2-Methoxy-isophthalic Acid;SCHEMBL39857;2-Methoxyisophthalic acid, 85%;AML0035;DTXSID00404246;ZRWAPLTWCQQSAN-UHFFFAOYSA-N;BAA95138;AKOS015894439;BS-15863;SY308208;CS-0130535;FT-0694770;D71163

Chemical Property of 2-Methoxyisophthalic acid

Chemical Property:

• Vapor Pressure: 1.51E-08mmHg at 25°C
• Melting Point: 213-215 °C(lit.)
• Refractive Index: 1.59
• Boiling Point: 440.8°C at 760 mmHg
• PKA: 3.42±0.10(Predicted)
• Flash Point: 183.6°C
• PSA: 83.83000
• Density: 1.416g/cm³
• LogP: 1.09160
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 196.03717335
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methoxyisophthalic acid 85% ^*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=CC=C1C(=O)O)C(=O)O

Technology Process of 2-Methoxyisophthalic acid

There total 13 articles about 2-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: 97.0%

2-methoxy-1,3-dimethylbenzene (1004-66-6) → 2-methoxyisophthalic acid (1951-38-8)

Guidance literature:

With permanganate(VII) ion;

DOI:10.1021/jo00271a054

Reference yield: 85.0%

2-methoxy-3-methylbenzoic acid (26507-91-5) → 2-methoxyisophthalic acid (1951-38-8)

Guidance literature:

2-methoxy-3-methylbenzoic acid; With sodium hydroxide; In water;

With potassium permanganate; at 75 - 85 ℃;

With hydrogenchloride; In water;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 1-(isopropylthio)-3-methoxybenzene (38474-03-2) → 4-methoxyisophthalic acid (2206-43-1) + 2-methoxyisophthalic acid (1951-38-8)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; nickel; Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1016/S0040-4020(01)81368-5

upstream raw materials:

2-methoxy-1,3-dimethylbenzene

2-methoxy-3-methylanisaldehyde

2-methoxy-3-methylbenzoic acid

2-hydroxyisophthalic acid

Downstream raw materials:

bis(2-(2-methoxyphenyl)-2-oxoethyl) 2-methoxyisophthalate

2,6-bis(2-methoxyphenylimidazolyl)anisole

C₂₅H₂₈N₄O₅

C₅₅H₆₆N₆O₁₃

Refernces

• 1、 Venimadhavan, S.,Shelly, Kevin P.,Stewart, Ross. "Catalysis of the Enolization of Acetone by Mono- and Dicarboxylate Bases. The Role of Hydrogen Bonding". . p. 2483 - 2485. Retrieved 1989.
• 2、 -. "ARYL AND HETEROARYL-CARBOXAMIDE SUBSTITUTED HETEROARYL COMPOUNDS AS TYK2 INHIBITORS". Page/Page column 81. . Retrieved 2021/10/15.