3,4-Dimethoxybenzoic acid

Base Information

• Chemical Name: 3,4-Dimethoxybenzoic acid
• CAS No.: 93-07-2
• Molecular Formula: C9H10O4
• Molecular Weight: 182.176
• Hs Code.: 2918.90
• European Community (EC) Number: 202-215-7
• NSC Number: 7721
• UNII: 1YY04E7RR4
• DSSTox Substance ID: DTXSID6059077
• Nikkaji Number: J10.598H
• Wikidata: Q425928
• Pharos Ligand ID: BJDWPTWMG4V5
• Metabolomics Workbench ID: 66953
• ChEMBL ID: CHEMBL118903
• Mol file: 93-07-2.mol

Synonyms:veratric acid;veratric acid, potassium salt;veratric acid, sodium salt;veratric acid, sodium salt, (11)C-labeled

Chemical Property of 3,4-Dimethoxybenzoic acid

Chemical Property:

• Appearance/Colour: white to slightly yellow powder
• Vapor Pressure: 0.000423mmHg at 25°C
• Melting Point: 179-182 °C(lit.)
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 302.938 °C at 760 mmHg
• PKA: 4.35±0.10(Predicted)
• Flash Point: 120.921 °C
• PSA: 55.76000
• Density: 1.215 g/cm³
• LogP: 1.40200
• Storage Temp.: Refrigerator
• Solubility.: 0.5g/l
• Water Solubility.: slightly soluble
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98% ^*data from raw suppliers

Veratric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)O)OC
• Recent ClinicalTrials: Prevention and Control of Neoplasms Associated With HPV in High-risk Groups in Mexico City: The Condesa Study
• Uses: Derivative of Protocatechuic Acid, and is a reagent used in the production of antimicrobial agents, antifeedants, and a variety of other biologically active compounds. 3,4-Dimethoxybenzoic acid is a derivative of Protocatechuic Acid.3,4-Dimethoxybenzoic acid is a reagent used in the production of antimicrobial agents, antifeedants, and a variety of other biologically active compounds. 3,4-Dimethoxybenzoic acid plays an important role in producing antibiotics and various dyes. They are used as intermediates for pharmaceuticals (especially for antipyretic analgesic, antirheumatism) and other organic synthesis. It is used as matrix for ionization of peptides, proteins and carbohydrates.

Technology Process of 3,4-Dimethoxybenzoic acid

There total 365 articles about 3,4-Dimethoxybenzoic 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: 60.0%

1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-propane-1,3-diol → 4-methoxy-benzaldehyde (123-11-5) + 3,4-dimethoxy-benzaldehyde (120-14-9) + 4-methoxybenzoic acid (100-09-4) + Veratric acid (93-07-2)

Guidance literature:

With oxygen; In acetonitrile; for 8h; under 760.051 Torr; Irradiation;

DOI:10.1021/acscatal.8b00022

Reference yield: 31.4%

1,2-bis(3,4-dimethoxyphenyl)-1,3-propanediol (41564-97-0) → 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-dione (554-34-7) + 3,4-dimethoxy-benzaldehyde (120-14-9) + Veratric acid (93-07-2)

Guidance literature:

With bis(acetylacetonate)oxovanadium; oxygen; acetic acid; In water; acetonitrile; at 100 ℃; for 48h; Reagent/catalyst; Solvent;

DOI:10.1039/c8ob00409a

Reference yield: 6.0%

1,2-bis(3,4-dimethoxyphenyl)ethanone (4927-55-3) → 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-dione (554-34-7) + Veratric acid (93-07-2)

Guidance literature:

With tert.-butylnitrite; sodium ethanolate; In ethanol;

DOI:10.1016/0040-4020(95)00197-G

upstream raw materials:

diazomethane

3,4-Diacetoxy-benzoesaeure

Diazoethan

diethyl ether

Downstream raw materials:

methyl 3,4-dimethoxybenzoate

veratramide

2-(3,4-Dimethoxy-phenyl)-3H-imidazo[4,5-c]pyridine; hydrochloride

N-(2-benzo[1,3]dioxol-5-yl-ethyl)-3,4-dimethoxy-benzamide

Refernces

• 1、 Schranzhofer. "-". . p. 521,532. Retrieved 1893.
• 2、 Bagirov et al.. "-". . . Retrieved 1978.
• 3、 Kalla et al.. "-". . p. 1441. Retrieved 1978.
• 4、 Matkhalikova et al.. "-". . . Retrieved 1969.
• 5、 Leete,Louden. "-". . p. 6837,6841. Retrieved 1968.
• 6、 Adinarayana,Seshadri. "-". . p. 3727. Retrieved 1965.
• 7、 Birmingham, William R.,Galman, James L.,Parmeggiani, Fabio,Seibt, Lisa,Turner, Nicholas J.. "One-Pot Biocatalytic In Vivo Methylation-Hydroamination of Bioderived Lignin Monomers to Generate a Key Precursor to L-DOPA". . . Retrieved 2022/01/13.
• 8、 Park, Kwihwan,Jiang, Jing,Yamada, Tsuyoshi,Sajiki, Hironao. "Ruthenium-on-Carbon-Catalyzed Facile Solvent-Free Oxidation of Alcohols: Efficient Progress under Solid-Solid (Liquid)-Gas Conditions". . p. 1200 - 1205. Retrieved 2021/12/29.