4-Methoxy-2,3-dimethylbenzoic acid

Base Information

• Chemical Name: 4-Methoxy-2,3-dimethylbenzoic acid
• CAS No.: 5628-61-5
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10540907
• Nikkaji Number: J2.161.046A
• Wikidata: Q82417041
• Mol file: 5628-61-5.mol

Synonyms:4-methoxy-2,3-dimethylbenzoic acid;5628-61-5;2,3-Dimethyl-4-methoxybenzoic acid;Benzoic acid, 4-methoxy-2,3-dimethyl-;SCHEMBL732725;DTXSID10540907;IPCTTXWQWCZEOE-UHFFFAOYSA-N;4-methoxy-2,3-dimethylbenzoicacid;CS-M2517;MFCD06203271;AKOS006295759;FS-2356;A869980

Chemical Property of 4-Methoxy-2,3-dimethylbenzoic acid

Chemical Property:

• Boiling Point: 307.169 °C at 760 mmHg
• Flash Point: 120.395 °C
• PSA: 46.53000
• Density: 1.137 g/cm³
• LogP: 2.01020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dimethyl-4-methoxybenzoic acid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxy-2,3-dimethylbenzoic acid

There total 18 articles about 4-Methoxy-2,3-dimethylbenzoic 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: 98.0%

2,3-dimethyl-4-methoxybenzaldehyde (38998-17-3) → 4-methoxy-2,3-dimethyl-benzoic acid (5628-61-5)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; In water; dimethyl sulfoxide; at 20 - 40 ℃; for 2h;

Reference yield:

methyl 2,3-dimethyl-4-hydroxybenzene-1-carboxylate (5628-56-8) → 4-methoxy-2,3-dimethyl-benzoic acid (5628-61-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: aq. NaOH

With sodium hydroxide;

Reference yield:

2,3-dimethylanisole (2944-49-2) + carbon monoxide (201230-82-2) → 4-methoxy-2,3-dimethyl-benzoic acid (5628-61-5)

Guidance literature:

With oxygen; palladium diacetate; In acetic acid; at 70 ℃; for 15h; under 760.051 Torr;

DOI:10.1039/b411934g

upstream raw materials:

Dimethyl-<4-methoxy-2.3-dimethyl-benzyl>-amin

O-(2,3-dimethyl-4-methoxybenzoyl)-ω-hydroxy-2,3-dimethyl-4-methoxyacetophenone

4-Methoxy-2,3-dimethyl-benzoesaeure-methylester

4-hydroxy-2,3-dimethylbenzoic acid

Downstream raw materials:

4-hydroxy-2,3-dimethylbenzoic acid

methyl 2,3-dimethyl-4-hydroxybenzene-1-carboxylate

4-benzyloxy-2,3-dimethylbenzoic acid

4-Benzyloxy-2,3-dimethyl-benzoyl chloride