Dimethyl 4-methoxyisophthalate

Base Information

• Chemical Name: Dimethyl 4-methoxyisophthalate
• CAS No.: 22955-73-3
• Molecular Formula: C11H12O5
• Molecular Weight: 224.213
• Hs Code.: 2918990090
• European Community (EC) Number: 245-350-7
• DSSTox Substance ID: DTXSID20177501
• Nikkaji Number: J318.371H
• Wikidata: Q72470859
• Mol file: 22955-73-3.mol

Synonyms:Dimethyl 4-methoxyisophthalate;22955-73-3;dimethyl 4-methoxybenzene-1,3-dicarboxylate;1,3-dimethyl 4-methoxybenzene-1,3-dicarboxylate;EINECS 245-350-7;4-Methoxy-1,3-benzenedicarboxylic acid dimethyl ester;4-Methoxyisophthalic acid dimethyl ester;Dimethyl4-methoxyisophthalate;SCHEMBL5169870;DTXSID20177501;1,3-Benzenedicarboxylic acid, 4-methoxy-, 1,3-dimethyl ester;CS-B1647;XAA95573;Dimethyl 4-methoxyisophthalate, 98%;MFCD06204071;AKOS015890620;AS-71016;FT-0654087;W12597;A816443;J-014917;1,3-Benzenedicarboxylic acid, 4-methoxy-, dimethyl ester

Chemical Property of Dimethyl 4-methoxyisophthalate

Chemical Property:

• Vapor Pressure: 0.000154mmHg at 25°C
• Melting Point: 93-97 °C(lit.)
• Refractive Index: 1.508
• Boiling Point: 331.6 °C at 760 mmHg
• Flash Point: 146 °C
• PSA: 61.83000
• Density: 1.184g/cm3
• LogP: 1.26840
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 224.06847348
• Heavy Atom Count: 16
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl4-methoxyisophthalate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 4-methoxyisophthalate

There total 28 articles about Dimethyl 4-methoxyisophthalate 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: 92.0%

methanol (67-56-1) + 4-methoxy-1,3-benzenedicarbonyl dichloride (13235-60-4) → dimethyl 4-methoxyisophthalate (22955-73-3)

Guidance literature:

Ambient temperature;

Reference yield: 87.0%

dimethyl 4-hydroxyisophthalate (5985-24-0) + methyl iodide (74-88-4) → dimethyl 4-methoxyisophthalate (22955-73-3)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 2h;

Reference yield: 71.0%

methanol (67-56-1) + methyl 2-methoxy-5-methylbenzoate (63113-79-1) → dimethyl 4-methoxyisophthalate (22955-73-3)

Guidance literature:

With tetradecyl(tributyl)phosphonium methanesulfonate; at 20 ℃; for 18h; Inert atmosphere; Electrolysis; Sealed tube; Green chemistry;

DOI:10.1002/chem.202005158

upstream raw materials:

diazomethane

4-methoxyisophthalic acid

methanol

4-methoxy-1,3-benzenedicarbonyl dichloride

Downstream raw materials:

4-methoxy-5-nitro-isophthalic acid dimethyl ester

5-amino-4-methoxy-isophthalic acid dimethyl ester

4-methoxy-5-nitro-isophthalic acid

4-methoxy-1,3-benzenedicarbonyl dichloride

Refernces

• 1、 Harris et al.. "". . p. 2655. Retrieved 1975.
• 2、 Yu, Congjun,?zkaya, Bünyamin,Patureau, Frederic W.. "Electro-Oxidative Selective Esterification of Methylarenes and Benzaldehydes". supporting information. p. 3682 - 3687. Retrieved 2021/02/01.
• 3、 Kauffmann, Thomas,Voss, Karl-Uwe,Neiteler, Gabriele. "Alkyliron and Alkylcobalt Reagents, VIII. - Alkyl-Iron(II) Compounds as Reagents and Catalysts for the Transformation of Acyl Chlorides into Ketones". . p. 1453 - 1460. Retrieved 2007/10/02.