3,4,5-Trimethoxyphthalic acid

Base Information

• Chemical Name: 3,4,5-Trimethoxyphthalic acid
• CAS No.: 50276-60-3
• Molecular Formula: C11H12O7
• Molecular Weight: 256.212
• DSSTox Substance ID: DTXSID40508050
• Nikkaji Number: J1.909.728E
• Wikidata: Q82364738
• Mol file: 50276-60-3.mol

Synonyms:3,4,5-trimethoxyphthalic acid;50276-60-3;3,4,5-trimethoxybenzene-1,2-dicarboxylic acid;Trimethoxy-phthalsaure;3,4,5-trimethoxyphthalicacid;SCHEMBL8911580;DTXSID40508050;MFCD09865143;AKOS015998344;LS-08605

Chemical Property of 3,4,5-Trimethoxyphthalic acid

Chemical Property:

• PSA: 102.29000
• LogP: 1.10880
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 256.05830272
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

3,4,5-Trimethoxyphthalic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)OC)OC

Technology Process of 3,4,5-Trimethoxyphthalic acid

There total 13 articles about 3,4,5-Trimethoxyphthalic 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:

2-formyl-3,4,5-trimethoxybenzoic acid (56440-94-9) → 3,4,5-trimethoxyphthalic acid (50276-60-3)

Guidance literature:

With potassium permanganate; at 100 ℃;

Reference yield:

4,5,6-trimethoxyphthalide (4087-80-3) → 3,4,5-trimethoxyphthalic acid (50276-60-3)

Guidance literature:

With tetrachloromethane; N-Bromosuccinimide; dibenzoyl peroxide; Irradiation_.Erwaermen des Reaktionsprodukts mit H₂O;

DOI:10.1246/bcsj.32.1311

Reference yield:

2-bromo-3,4,5-trimethoxybenzoic acid (23346-82-9) → 3,4,5-trimethoxyphthalic acid (50276-60-3)

Guidance literature:

With n-butyllithium; diethyl ether; at -75 ℃; anschliessend Einleiten von CO₂;

upstream raw materials:

4,5,6-trimethoxyphthalide

2-bromo-3,4,5-trimethoxybenzoic acid

2-formyl-3,4,5-trimethoxybenzoic acid

2,3,4,6-tetramethoxy-5H-benzo[7]annulen-5-one

Downstream raw materials:

1',3'-dihydroxy-3,4,5-trimethoxy-2'-methylbenzophenone-2-carboxylic acid

Eudesmic acid

2-Hydroxymethyl-3.4.5-trimethoxy-benzylalkohol

3,4,5-Trimethoxy-N-methylphthalimid

Refernces

• 1、 Duggal, J. Kaur,Misra, K.. "Synthesis of 1,3-Dihydroxy-5,6,7-trimethoxy-2-methyl-anthraquinone". . p. 1000 - 1001. Retrieved 2007/10/02.