5-Methoxy-3-methylphthalic acid

Base Information

• Chemical Name: 5-Methoxy-3-methylphthalic acid
• CAS No.: 103203-38-9
• Molecular Formula: C₁₀H₁₀O₅
• Molecular Weight: 210.186
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60394457
• Wikidata: Q82193851
• Mol file: 103203-38-9.mol

Synonyms:5-methoxy-3-methylphthalic acid;103203-38-9;5-methoxy-3-methyl-1,2-Benzenedicarboxylic acid;5-methoxy-3-methyl-phthalic Acid;SCHEMBL384123;DTXSID60394457;AKOS024341686;FT-0708082

Chemical Property of 5-Methoxy-3-methylphthalic acid

Chemical Property:

• Vapor Pressure: 4.16E-07mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 399.7°Cat760mmHg
• Flash Point: 161.1°C
• PSA: 83.83000
• Density: 1.358g/cm³
• LogP: 1.40000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 210.05282342
• Heavy Atom Count: 15
• Complexity: 263

Purity/Quality:

95+% ^*data from raw suppliers

5-METHOXY-3-METHYL-PHTHALIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Methoxy-3-methylphthalic acid

There total 11 articles about 5-Methoxy-3-methylphthalic acid 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:

methyl 2-cyano-5-methoxy-3-methylbenzoate (94742-93-5) → 5-methoxy-3-methyl-phthalic acid (103203-38-9)

Guidance literature:

With sodium hydroxide; water; In methanol; for 84h; Heating;

Reference yield:

3-hydroxy-5-methyl-benzoic acid methyl ester (2615-71-6) → 5-methoxy-3-methyl-phthalic acid (103203-38-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 54 percent / Br₂ / CCl₄; CH₂Cl₂ / 0.08 h / Ambient temperature

2: 98 percent / K₂CO₃ / acetone / 1.5 h / Heating

3: 55 percent / dimethylformamide / 2 h / Heating

4: NaOH, water / methanol / 84 h / Heating

With sodium hydroxide; water; bromine; potassium carbonate; In methanol; tetrachloromethane; dichloromethane; N,N-dimethyl-formamide; acetone;

Reference yield:

methyl 2-bromo-5-methoxy-3-methylbenzoate (94742-92-4) → 5-methoxy-3-methyl-phthalic acid (103203-38-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / dimethylformamide / 2 h / Heating

2: NaOH, water / methanol / 84 h / Heating

With sodium hydroxide; water; In methanol; N,N-dimethyl-formamide;

upstream raw materials:

6-methoxy-4-methylisobenzofuran-1(3H)-one

5-hydroxy-3-methyl-phthalic acid

dimethyl sulfate

methyl 2-cyano-5-methoxy-3-methylbenzoate

Refernces

• 1、 -. "PHARMACEUTICAL COMBINATIONS". Page/Page column 260. . Retrieved 2008/06/13.
• 2、 -. "PHARMACEUTICAL COMBINATIONS". Page/Page column 334. . Retrieved 2008/06/13.