Dimethyl 3-methylphthalate

Base Information

• Chemical Name: Dimethyl 3-methylphthalate
• CAS No.: 21483-46-5
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2917399090
• UNII: 87T4D4N9E3
• DSSTox Substance ID: DTXSID601334438
• Mol file: 21483-46-5.mol

Synonyms:dimethyl 3-methylphthalate;21483-46-5;3-methyl-phthalic acid dimethyl ester;1,2-Benzenedicarboxylic acid, 3-methyl-, 1,2-dimethyl ester;dimethyl 3-methylbenzene-1,2-dicarboxylate;Dimethyl 3-methyl orthophthalate;87T4D4N9E3;Phthalic acid, 3-methyl-, dimethyl ester;1,2-Benzenedicarboxylic acid, 3-methyl-, dimethyl ester;dimethyl3-methylphthalate;SCHEMBL773429;UNII-87T4D4N9E3;3-methyl-phthalic dimethyl ester;CSYOORDPNRFQTI-UHFFFAOYSA-N;DTXSID601334438;WAA48346;3-Methylphthalic acid dimethyl ester;MFCD11505959;AKOS024262234;SB35409;AS-48108;CS-0061145;dimethyl 3-methylbenzene-1, 2-dicarboxylate;FT-0710430;F18292;1,2-dimethyl 3-methylbenzene-1,2-dicarboxylate;3-methyl-benzene-1,2-dicarboxylic acid dimethyl ester;3-Methyl-1,2-benzenedicarboxylic acid 1,2-dimethyl ester

Chemical Property of Dimethyl 3-methylphthalate

Chemical Property:

• Melting Point: 42.5-44 °C
• Boiling Point: 167-169 °C(Press: 21 Torr)
• PSA: 52.60000
• Density: 1.147±0.06 g/cm3(Predicted)
• LogP: 1.56820
• 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: 249

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-phthalicAciddimethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 3-methylphthalate

There total 19 articles about Dimethyl 3-methylphthalate 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: 95.0%

methanol (67-56-1) + 3-methylphthalic acid anhydride (4792-30-7) + diazomethyl-trimethyl-silane (18107-18-1) → dimethyl 3-methylbenzene-1,2-dicarboxylate (21483-46-5)

Guidance literature:

methanol; 3-methylphthalic acid anhydride; With sulfuric acid; Reflux;

diazomethyl-trimethyl-silane; In methanol; toluene;

DOI:10.1016/j.bmcl.2008.07.090

Reference yield: 90.0%

1,8,8-trimethyl-7-oxo-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylic acid dimethyl ester → dimethyl 3-methylbenzene-1,2-dicarboxylate (21483-46-5)

Guidance literature:

In methanol; for 4h; UV-irradiation;

DOI:10.1002/ejoc.200600451

Reference yield: 87.0%

dimethyl 1-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (18064-04-5) → dimethyl 3-methylbenzene-1,2-dicarboxylate (21483-46-5)

Guidance literature:

With triphenyl phosphite; ammonium perrhenate; In toluene; at 80 ℃; for 18h; Inert atmosphere;

DOI:10.1039/c9cc00270g

upstream raw materials:

o-xylene

methyl diazoacetate

m-xylene

methanol

Downstream raw materials:

3-methylphthalic acid

2-Carbomethoxy-3-methylbenzoesaeure

3-bromomethylphthalate dimethyl ester

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