Dimethyl 4,5-dimethylphthalate

Base Information

• Chemical Name: Dimethyl 4,5-dimethylphthalate
• CAS No.: 17649-59-1
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• DSSTox Substance ID: DTXSID701227947
• Nikkaji Number: J1.290.445B
• Wikidata: Q107855177
• Mol file: 17649-59-1.mol

Synonyms:Dimethyl 4,5-dimethylphthalate;17649-59-1;dimethyl 4,5-dimethylbenzene-1,2-dicarboxylate;1,2-Benzenedicarboxylic acid, 4,5-dimethyl-, 1,2-dimethyl ester;SCHEMBL232535;Dimethyl 4,5-dimethylphthalate #;DTXSID701227947;4,5-Dimethylphthalic acid dimethyl ester;BS-47749;4,5-dimethyl-phthalic acid dimethyl ester;CS-0368407;Phthalic acid, 4,5-dimethyl-, dimethyl ester;E71490;1,2-dimethyl 4,5-dimethylbenzene-1,2-dicarboxylate;1,2-Dimethyl 4,5-dimethyl-1,2-benzenedicarboxylate

Chemical Property of Dimethyl 4,5-dimethylphthalate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 4,5-dimethylphthalate

There total 27 articles about Dimethyl 4,5-dimethylphthalate 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 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylate (14309-24-1) → dimethyl 4,5-dimethylphthalate (17649-59-1)

Guidance literature:

With iron(III) chloride; zinc; In 1,4-dioxane; hexane; at 20 ℃; for 240h;

DOI:10.1016/S0022-328X(00)00054-1

Reference yield: 95.0%

dimethyl 8'-7',8'-dimethyl-2'-oxospiro(oxirane-2,3'-bicyclo<2,2,2>octa<5,7>diene)-5',6'-dicarboxylate (73245-18-8) → dimethyl 4,5-dimethylphthalate (17649-59-1) + ethyl glycidate (4660-80-4)

Guidance literature:

In ethanol; chloroform; at 12 - 20 ℃; for 1h;

DOI:10.1021/jo01299a030

Reference yield: 95.0%

4,5-dimethyl-3,6-bis(trimethylsilyl)phthalic acid dimethyl ester (1176082-08-8) → dimethyl 4,5-dimethylphthalate (17649-59-1)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol901153p

upstream raw materials:

o-xylene

methyl diazoacetate

4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic acid diethyl ester

sodium methylate

Downstream raw materials:

6,13-dihydropentacene-2,3,9,10-tetracarboxylic acid tetrakis(3,5-bis(3,5-dimethoxy)benzyloxy)ester

BrH*C₃₇H₄₁N₃O₉

4,5-Dimethyl-2-(2-nitro-propionyl)-benzoic acid methyl ester

4,5-Dimethyl-2-(2-nitro-propionyl)-benzoic acid

Refernces

• 1、 Yasukawa, Naoki,Yokoyama, Hiroki,Masuda, Masahiro,Monguchi, Yasunari,Sajiki, Hironao,Sawama, Yoshinari. "Highly-functionalized arene synthesis based on palladium on carbon-catalyzed aqueous dehydrogenation of cyclohexadienes and cyclohexenes". supporting information. p. 1213 - 1217. Retrieved 2018/03/28.
• 2、 Kotha, Sambasivarao,Sreevani, Gaddamedi. "A short synthetic route to a hybrid molecule benzosultine-sulfone via [2+2+2] cyclotrimerization using Mo(CO)6". . p. 1204 - 1210. Retrieved 2019/11/14.