Dimethyl 2-methylisophthalate

Base Information

• Chemical Name: Dimethyl 2-methylisophthalate
• CAS No.: 28269-31-0
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID40373003
• Wikidata: Q82161081
• Mol file: 28269-31-0.mol

Synonyms:Dimethyl 2-methylisophthalate;28269-31-0;dimethyl 2-methylbenzene-1,3-dicarboxylate;Dimethyl2-methylisophthalate;SCHEMBL3511612;DTXSID40373003;MFCD00229510;AKOS004908193;AS-59745;CS-0181314;FT-0710473;O11725;A876750;1,3-DIMETHYL 2-METHYLBENZENE-1,3-DICARBOXYLATE

Chemical Property of Dimethyl 2-methylisophthalate

Chemical Property:

• PSA: 52.60000
• LogP: 1.56820
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

95% ^*data from raw suppliers

Dimethyl2-methylisophthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1C(=O)OC)C(=O)OC

Technology Process of Dimethyl 2-methylisophthalate

There total 14 articles about Dimethyl 2-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: 92.0%

methanol (67-56-1) + 2-methyl-1,3-benzenedicarbocylic acid (15120-47-5) → dimethyl 2-methylbenzene-1,3-dicarboxylate (28269-31-0)

Guidance literature:

With sulfuric acid; In benzene;

Reference yield: 78.0%

2-methyl-1,3-benzenedicarbocylic acid (15120-47-5) + sodium methylate (124-41-4) → dimethyl 2-methylbenzene-1,3-dicarboxylate (28269-31-0)

Guidance literature:

With sulfuric acid; for 24h; Heating;

DOI:10.1071/CH9901783

Reference yield:

2,6-dicyanotoluene (2317-22-8) → dimethyl 2-methylbenzene-1,3-dicarboxylate (28269-31-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH

2: H₂SO₄

With potassium hydroxide; sulfuric acid;

DOI:10.1021/ja00089a013

upstream raw materials:

methanol

2-methyl-1,3-benzenedicarbocylic acid

sodium methylate

dimethyl 4,5-dichloro-2-methylisophthalate

Downstream raw materials:

1,3-bis(bromomethyl)toluene

dibromure de 2,6-bis(triphenylphosphoniomethyl)toluene

1,3-dihydro-1-oxo-4-isobenzofurancarboxylic acid

dimethyl 2-methoxymethylbenzene-1,3-dicarboxylate

Refernces

• 1、 Mizutani, Tadashi,Ema, Tadashi,Tomita, Takashi,Kuroda, Yasuhisa,Ogoshi, Hisanobu. "Design and synthesis of a trifunctional chiral porphyrin with C2 symmetry as a chiral recognition host for amino acid esters". . p. 4240 - 4250. Retrieved 2007/10/02.
• 2、 Mitchell, Reginald H.,Chaudhary, Mahima,Kamada, Toshihiro,Slowey, Paul D.,Williams, Richard Vaughan. "CIS-DIMETHYLDIHYDROPYRENE SYNTHESIS. AN APPROACH UTILIZING A DIELS-ALDER ROUTE TO 1,2,3-TRISUBSTITUTED BENZENES". . p. 1741 - 1744. Retrieved 2007/10/02.