3,4,5-Trimethoxytoluene

Base Information

• Chemical Name: 3,4,5-Trimethoxytoluene
• CAS No.: 6443-69-2
• Molecular Formula: C10H14O3
• Molecular Weight: 182.219
• Hs Code.: 29093090
• European Community (EC) Number: 229-239-0
• DSSTox Substance ID: DTXSID80214683
• Nikkaji Number: J32.101J
• Wikidata: Q27155292
• Metabolomics Workbench ID: 123647
• ChEMBL ID: CHEMBL156710
• Mol file: 6443-69-2.mol

Synonyms:3,4,5-trimethoxytoluene

Chemical Property of 3,4,5-Trimethoxytoluene

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.0104mmHg at 25°C
• Melting Point: 24-26 °C(lit.)
• Refractive Index: n20/D 1.523(lit.)
• Boiling Point: 272 °C at 760 mmHg
• Flash Point: 74.4 °C
• PSA: 27.69000
• Density: 1.025 g/cm³
• LogP: 2.02080
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

3,4,5-Trimethoxytoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)OC)OC)OC
• Uses: 3,4,5-Trimethoxytoluene is a reagent for oxadiazolylindazole sodium channel modulators which are neuroprotective toward hippocampal neurons. 3,4,5-Trimethoxytoluene was used as a substructure model compound in the reaction of trimethoprim with free available chlorine (i.e. HOCl).

Technology Process of 3,4,5-Trimethoxytoluene

There total 67 articles about 3,4,5-Trimethoxytoluene 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: 98.5%

1-(2-hexyl)-2,5-dimethylbenzene (4003-98-9) + toluene-4-sulfonic acid (104-15-4) → 3,4,5-trimethoxytoluene (6443-69-2)

Guidance literature:

In water;

Reference yield: 98.0%

p-toluenesulfonic acid + 5-(p-xylyl)-hexene (153754-60-0) → 3,4,5-trimethoxytoluene (6443-69-2)

Guidance literature:

Reference yield: 97.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) + N-butylamine (109-73-9,85404-21-3) → N-butyl-3,4,5-trimethoxybenzylamine hydrochloride (935250-90-1) + 3,4,5-trimethoxytoluene (6443-69-2)

Guidance literature:

With chloroform; 10% Pd/C; hydrogen; In methanol; at 20 ℃; for 2h; under 760.051 Torr; chemoselective reaction;

DOI:10.1016/j.tet.2008.09.072

upstream raw materials:

(3,4,5-trimethoxyphenyl)methanol

3,4,5-trimethoxy-benzaldehyde

5-methylpyrogallol

dimethyl sulfate

Downstream raw materials:

5-(2-hydroxy-3,4-dimethoxy-6-methylbenzoyl)valeric acid

9-(2-hydroxy-3,4-dimethoxy-6-methylbenzoyl)nonanoic acid

1-n-butyl-2,6-dimethoxy-4-methylbenzene

(3,4,5-trimethoxyphenyl)methanol

Refernces

• 1、 Jiang, Huifang,Lu, Rui,Luo, Xiaolin,Si, Xiaoqin,Xu, Jie,Lu, Fang. "Molybdenum-Catalyzed Deoxygenation Coupling of Lignin-Derived Alcohols for Functionalized Bibenzyl Chemicals". supporting information. p. 1292 - 1296. Retrieved 2020/12/09.
• 2、 Boldt, Andrew M.,Dickinson, Sidney I.,Ramirez, Jonathan R.,Benz-Weeden, Anna M.,Wilson, David S.,Stevenson, Susan M.. "Reactions of benzyltriphenylphosphonium salts under photoredox catalysis". supporting information. p. 7810 - 7815. Retrieved 2021/09/28.