3,5-Dimethoxy-4-methylbenzoic acid

Base Information

• Chemical Name: 3,5-Dimethoxy-4-methylbenzoic acid
• CAS No.: 61040-81-1
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30396100
• Nikkaji Number: J1.310.881A
• Wikidata: Q82196613
• Mol file: 61040-81-1.mol

Synonyms:3,5-dimethoxy-4-methylbenzoic acid;61040-81-1;3,5-dimethoxy-4-methyl-benzoic Acid;Benzoic acid,3,5-dimethoxy-4-methyl-;SCHEMBL668540;DTXSID30396100;3,5-dimethoxy4-methylbenzoic acid;4-methyl-3,5-dimethoxybenzoic acid;MFCD00017506;3,5-dimethoxy-4-methyl benzoic acid;AKOS000120545;CS-W008043;Benzoic acid, 3,5-dimethoxy-4-methyl-;AM808199;AS-11562;BB 0246914;FT-0614650;EN300-20979;W16340;Z104485712

Chemical Property of 3,5-Dimethoxy-4-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 1.99E-05mmHg at 25°C
• Melting Point: 210-216°C
• Refractive Index: 1.53
• Boiling Point: 347.7 °C at 760 mmHg
• PKA: 4.13±0.10(Predicted)
• Flash Point: 137.8 °C
• PSA: 55.76000
• Density: 1.18g/cm³
• LogP: 1.71040
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in liquid ammonia.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dimethoxy-4-methylbenzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1OC)C(=O)O)OC
• Uses: 3,5-Dimethoxy-4-methylbenzoic acid undergoes reduction in the presence of sodium in ethanol to prepare 1,4-dihydro-3,5-dimethoxy- kmethylbenzoic acid.

Technology Process of 3,5-Dimethoxy-4-methylbenzoic acid

There total 11 articles about 3,5-Dimethoxy-4-methylbenzoic 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: 88.6%

methyl 3,5-dimethoxy-4-methylbenzoate (60441-79-4) → 4-methyl-3,5-dimethoxybenzoic acid (61040-81-1)

Guidance literature:

With water; sodium hydroxide; In methanol; dimethyl sulfoxide; at 60 ℃; for 2h;

Reference yield: 80.0%

3,5-dimethoxybenzoic acid (1132-21-4) + methyl iodide (74-88-4) → 4-methyl-3,5-dimethoxybenzoic acid (61040-81-1)

Guidance literature:

With n-butyllithium; potassium tert-butylate; In tetrahydrofuran; hexane; at -78 ℃; for 1.66667h;

DOI:10.1016/S0040-4039(00)00320-8

Reference yield:

1,3-dimethoxy-2,5-dimethylbenzene (21390-25-0) → 4-methyl-3,5-dimethoxybenzoic acid (61040-81-1)

Guidance literature:

With pyridine; potassium permanganate;

upstream raw materials:

1,3-dimethoxy-2,5-dimethylbenzene

(4-carboxy-2,6-dimethoxy-phenyl)-acetic acid

acetic anhydride

3,5-dihydroxy-4-methylbenzoic acid

Downstream raw materials:

methyl 3,5-dimethoxy-4-methylbenzoate

3,5-dimethoxy-4-methylbenzoyl chloride