Dimethyl 4-methylisophthalate

Base Information

• Chemical Name: Dimethyl 4-methylisophthalate
• CAS No.: 23038-61-1
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.214
• Hs Code.: 2917399090
• European Community (EC) Number: 245-393-1
• DSSTox Substance ID: DTXSID3066849
• Nikkaji Number: J33.624F
• Wikidata: Q81993420
• Mol file: 23038-61-1.mol

Synonyms:Dimethyl 4-methylisophthalate;23038-61-1;dimethyl 4-methylbenzene-1,3-dicarboxylate;Dimethyl 4-methyl-1,3-benzenedicarboxylate;1,3-Benzenedicarboxylic acid, 4-methyl-, 1,3-dimethyl ester;EINECS 245-393-1;1,3-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester;Dimethyl4-methylisophthalate;SCHEMBL821898;DTXSID3066849;YAA03861;MFCD09878878;4-Methylisophthalic acid dimethyl ester;SB35641;4-Methyl-isophthalic acid dimethyl ester;AS-48107;CS-0318280;FT-0738147;Isophthalic acid, 4-methyl-, dimethyl ester;F18276;1,3-dimethyl 4-methylbenzene-1,3-dicarboxylate

Chemical Property of Dimethyl 4-methylisophthalate

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Boiling Point: 284.3°Cat760mmHg
• Flash Point: 136.8°C
• PSA: 52.60000
• Density: 1.147g/cm³
• LogP: 1.56820
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

Dimethyl4-methylisophthalate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)OC)C(=O)OC

Technology Process of Dimethyl 4-methylisophthalate

There total 20 articles about Dimethyl 4-methylisophthalate 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%

→ dimethyl 4-methylbenzene-1,3-dicarboxylate (23038-61-1)

Guidance literature:

Reference yield: 95.0%

methanol (67-56-1) + 4-methyl isophthalic acid (3347-99-7) → dimethyl 4-methylbenzene-1,3-dicarboxylate (23038-61-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/0960-894X(96)00473-8

Reference yield: 88.0%

methyl 8-methoxy-8-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate → dimethyl 4-methylbenzene-1,3-dicarboxylate (23038-61-1)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 65 ℃; for 18h;

DOI:10.1039/c7ra12935a

upstream raw materials:

diazomethane

5-cyano-4-methylbenzoic acid methyl ester

methyl 3-acetyl-4-methylbenzoate

methanol

Downstream raw materials:

dimethyl 4-bromomethylbenzene-1,3-dicarboxylate

4-methyl isophthalic acid