Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl-

Base Information

• Chemical Name: Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl-
• CAS No.: 89048-20-4
• Molecular Formula: C12H16O4
• Molecular Weight: 224.257
• DSSTox Substance ID: DTXSID00372870
• Wikidata: Q82160812
• Mol file: 89048-20-4.mol

Synonyms:2,5-dimethoxy-3,4,6-trimethylbenzoic acid;89048-20-4;Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl-;SCHEMBL10474965;DTXSID00372870;UCEUSYURLZSDFH-UHFFFAOYSA-N;AKOS004907080

Chemical Property of Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1OC)C)C(=O)O)OC)C

Technology Process of Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl-

There total 4 articles about Benzoic acid, 2,5-dimethoxy-3,4,6-trimethyl- 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:

methyl 2,5-dimethoxy-3,4,6-trimethylbenzoate (203805-70-3) → 2,5-dimethoxy-3,4,6-trimethylbenzoic acid (89048-20-4)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01317a063

Reference yield:

Trimethylhydroquinone (700-13-0) → 2,5-dimethoxy-3,4,6-trimethylbenzoic acid (89048-20-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 77 percent / K₂CO₃ / acetone

2: 99 percent / Br₂, Fe / CH₂Cl₂ / 2 h / Ambient temperature

3: 1.) 2.5M n-BuLi / 1.) Et₂O, n-hexane, -20 deg C, 1 h, 2.) Et₂O, n-hexane, -20 deg C to r.t.

With n-butyllithium; bromine; iron; potassium carbonate; In dichloromethane; acetone;

Reference yield:

1,4-dimethoxy-2,3,5-trimethyl-benzene (4537-09-1) → 2,5-dimethoxy-3,4,6-trimethylbenzoic acid (89048-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / Br₂, Fe / CH₂Cl₂ / 2 h / Ambient temperature

2: 1.) 2.5M n-BuLi / 1.) Et₂O, n-hexane, -20 deg C, 1 h, 2.) Et₂O, n-hexane, -20 deg C to r.t.

With n-butyllithium; bromine; iron; In dichloromethane;

upstream raw materials:

methyl 2,5-dimethoxy-3,4,6-trimethylbenzoate

carbon dioxide

1-bromo-2,5-dimethoxy-3,4,6-trimethylbenzene

Trimethylhydroquinone

Downstream raw materials:

trimethyl-nitro-[1,4]benzoquinone

(2,5-dimethoxy-3,4,6-trimethylphenyl)methanol

1-<(tert-butyldimethylsilyloxy)methyl>-2,5-dimethoxy-3,4,6-trimethylbenzene

1,4-dimethoxy-2,3,5-trimethyl-6-<(propionyloxy)methyl>benzene