1,3,5-Trimethoxybenzene

Base Information

• Chemical Name: 1,3,5-Trimethoxybenzene
• CAS No.: 621-23-8
• Molecular Formula: C9H12O3
• Molecular Weight: 168.192
• Hs Code.: 29093090
• European Community (EC) Number: 210-673-4
• NSC Number: 90060
• UNII: 00VJI3VG3D
• DSSTox Substance ID: DTXSID0045963
• Nikkaji Number: J6.831D
• Wikidata: Q27114090
• Metabolomics Workbench ID: 54325
• ChEMBL ID: CHEMBL1605492
• Mol file: 621-23-8.mol

Synonyms:1,3,5-trimethoxybenzene;trimethylphloroglucinol

Chemical Property of 1,3,5-Trimethoxybenzene

Chemical Property:

• Appearance/Colour: white to cream crystalline powder
• Vapor Pressure: 0.0239mmHg at 25°C
• Melting Point: 50-53 °C(lit.)
• Refractive Index: 1,533
• Boiling Point: 257 °C at 760 mmHg
• Flash Point: 85.6 °C
• PSA: 27.69000
• Density: 1.041 g/cm³
• LogP: 1.71240
• Storage Temp.: Store below +30°C.
• Solubility.: methanol: 0.1 g/mL, clear, colorless
• Water Solubility.: insoluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 91.2

Purity/Quality:

99% ^*data from raw suppliers

1,3,5-Trimethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; F
• Hazard Codes: Xn,F
• Statements: 22-20/21/22
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Ethers, Other
• Canonical SMILES: COC1=CC(=CC(=C1)OC)OC
• Uses: 1,3,5-Trimethoxybenzene is a major scent component of the Chinese rose odour. 1,3,5-Trimethoxybenzene is also a useful synthetic intermediate and is used to synthesize triaryl- and triheteroarylmethanes.

Technology Process of 1,3,5-Trimethoxybenzene

There total 140 articles about 1,3,5-Trimethoxybenzene 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: 99.0%

2,4,6-trimethoxybenzoic acid (570-02-5) → 1,2,3-trimethoxybenzene (621-23-8)

Guidance literature:

With palladium(II) trifluoroacetate; trifluoroacetic acid; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 70 ℃; for 24h;

DOI:10.1021/jo400222c

Reference yield: 99.0%

3,5-dihydroxyphenol (108-73-6) + methyl iodide (74-88-4) → 1,2,3-trimethoxybenzene (621-23-8)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Reflux;

DOI:10.1080/00397911.2020.1771597

Reference yield: 98.0%

1,3,5-trisbromobenzene (626-39-1) + sodium methylate (124-41-4) → 1,2,3-trimethoxybenzene (621-23-8)

Guidance literature:

With methanol; Methyl formate; copper(l) chloride; at 115 ℃; for 2h; Autoclave; Green chemistry;

DOI:10.1007/s11164-014-1917-x

upstream raw materials:

diazomethane

3,5-dihydroxyphenol

diethyl ether

methanol

Downstream raw materials:

9-(2',4',6'-trimethoxyphenyl)-9H-xanthene

1,1'-Methylenebis(2,4,6-trimethoxybenzene)

1-(2,4,6-trimethoxyphenyl)dodecan-1-one

benzo[1,3]dioxol-5-yl-(2,4,6-trimethoxy-phenyl)-ketone

Refernces

• 1、 Burkett et al.. "". . p. 3923,3925. Retrieved 1959.
• 2、 Castellani, Carla Bisi,Carugo, Oliviero,Giusti, Manuel,Leopizzi, Claudia,Perotti, Angelo,Invernizzi, Anna Gamba,Vidari, Giovanni. "Scandium trifluoromethanesulphonate as an active catalyst in the decarbonylation of aromatic aldehydes". . p. 11045 - 11052. Retrieved 1996.
• 3、 Brutiu, Bogdan R.,Klose, Immo,Maulide, Nuno. "Facile C-S Bond Cleavage of Aryl Sulfoxides Promoted by Bronsted Acid". supporting information. p. 488 - 490. Retrieved 2021/03/09.
• 4、 -. "Preparation method of trimethylphloroglucinol". Paragraph 0029-0043. . Retrieved 2021/09/21.