Dimethyl 5-hydroxy-3-methylphthalate

Base Information

• Chemical Name: Dimethyl 5-hydroxy-3-methylphthalate
• CAS No.: 63559-21-7
• Molecular Formula: C11H12O5
• Molecular Weight: 224.213
• DSSTox Substance ID: DTXSID101334190
• Nikkaji Number: J347.134I
• Mol file: 63559-21-7.mol

Synonyms:Dimethyl 5-hydroxy-3-methylphthalate;63559-21-7;dimethyl 5-hydroxy-3-methylbenzene-1,2-dicarboxylate;DTXSID101334190;Dimethyl5-hydroxy-3-methylphthalate

Chemical Property of Dimethyl 5-hydroxy-3-methylphthalate

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 224.06847348
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 5-hydroxy-3-methylphthalate

There total 3 articles about Dimethyl 5-hydroxy-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: 98.0%

3-Methyl-5-(trimethylsiloxy)phthalsaeure-dimethylester (108298-55-1) → 5-Hydroxy-3-methylphthalsaeure-dimethylester (63559-21-7)

Guidance literature:

With hydrogenchloride; In methanol; water; for 0.25h;

Reference yield:

dimethyl 1-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (18064-04-5) → dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate (22481-06-7) + 5-Hydroxy-3-methylphthalsaeure-dimethylester (63559-21-7)

Guidance literature:

With silver tetrafluoroborate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In 1,2-dichloro-ethane; at 60 ℃; for 1.5h; Title compound not separated from byproducts.;

DOI:10.1021/jo7012884

Reference yield:

1-methyl-1,3-bis(trimethylsilyloxy)buta-1,3-diene (63446-76-4,63446-77-5,68225-97-8) + dimethyl acetylenedicarboxylate (762-42-5) → 5-Hydroxy-3-methylphthalsaeure-dimethylester (63559-21-7)

Guidance literature:

In xylene; at 100 ℃; Rate constant;

DOI:10.1248/cpb.38.1832

upstream raw materials:

1-methyl-1,3-bis(trimethylsilyloxy)buta-1,3-diene

dimethyl acetylenedicarboxylate

3-Methyl-5-(trimethylsiloxy)phthalsaeure-dimethylester

dimethyl 1-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate