2,4,5-Trimethoxybenzoic acid

Base Information

• Chemical Name: 2,4,5-Trimethoxybenzoic acid
• CAS No.: 490-64-2
• Molecular Formula: C10H12O5
• Molecular Weight: 212.202
• Hs Code.: 29189900
• European Community (EC) Number: 207-715-9
• UNII: 9WDU77RBH9
• DSSTox Substance ID: DTXSID4060076
• Nikkaji Number: J65E
• Wikidata: Q63409348
• Mol file: 490-64-2.mol

Synonyms:2,4,5-trimethoxybenzoic acid;asaronic acid

Chemical Property of 2,4,5-Trimethoxybenzoic acid

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Vapor Pressure: 0.000513mmHg at 25°C
• Melting Point: 143-145 °C(lit.)
• Refractive Index: 1.5140 (estimate)
• Boiling Point: 300 °C at 760 mmHg
• PKA: 4.24±0.10(Predicted)
• Flash Point: 134 °C
• PSA: 64.99000
• Density: 1.219 g/cm³
• LogP: 1.41060
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly)
• Water Solubility.: SOLUBLE
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.06847348
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Trimethoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: COC1=CC(=C(C=C1C(=O)O)OC)OC
• Uses: 2,4,5-Trimethoxybenzoic Acid can be used to alleviate, treat, and prevent inflammatory diseases. 2,4,5-Trimethoxybenzoic acid was used as internal standard during the determination of the various types of hydroxyl groups present in lignins.

Technology Process of 2,4,5-Trimethoxybenzoic acid

There total 36 articles about 2,4,5-Trimethoxybenzoic 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: 96.0%

(2,4,5-trimethoxyphenyl)methanol (30038-31-4) → asaronic acid (490-64-2)

Guidance literature:

With C₃₂H₂₅Cl₂N₆O₂Rh₂⁽¹⁺⁾*Cl^(1-); sodium hydroxide; In water; at 100 ℃; for 12h; Sealed tube; Green chemistry;

DOI:10.1039/c6gc01272h

Reference yield: 93.0%

asaraldehyde (4460-86-0,14374-62-0) → asaronic acid (490-64-2)

Guidance literature:

With dihydrogen peroxide; silver nitrate; In acetonitrile; at 50 ℃; for 0.5h; chemoselective reaction;

DOI:10.1016/j.tetlet.2009.09.044

Reference yield:

methyl 2,4,5-trimethoxybenzoate (20029-76-9) → asaronic acid (490-64-2)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01532a028

upstream raw materials:

asaraldehyde

asarone

1,2,4-trimethoxy-5-methylbenzene

2,4,5-trimethoxycinnamic acid

Downstream raw materials:

2,4,5-trimethoxy-N-methylbenzamide

3-phenylpropyl 2,4,5-trimethoxybenzoate

2,4,5-trimethoxy-N-phenylbenzamide

2,4,5-trimethoxybenzamide

Refernces

• 1、 Garg,Gear. "". . p. 689,695. Retrieved 1972.
• 2、 Wang, Xuewei,Wang, Chao,Liu, Yuxuan,Xiao, Jianliang. "Acceptorless dehydrogenation and aerobic oxidation of alcohols with a reusable binuclear rhodium(II) catalyst in water". supporting information. p. 4605 - 4610. Retrieved 2016/09/04.
• 3、 Gowda, Ravikumar R.,Chakraborty, Debashis. "Ceric ammonium nitrate catalyzed oxidation of aldehydes and alcohols". experimental part. p. 2379 - 2384. Retrieved 2012/02/15.