Benzaldehyde, 2,4,5-trimethoxy-3,6-dimethyl-

Base Information

• Chemical Name: Benzaldehyde, 2,4,5-trimethoxy-3,6-dimethyl-
• CAS No.: 92421-47-1
• Molecular Formula: C12H16O4
• Molecular Weight: 224.257
• DSSTox Substance ID: DTXSID70462313
• Nikkaji Number: J1.624.845B
• Wikidata: Q82286827
• Mol file: 92421-47-1.mol

Synonyms:Benzaldehyde, 2,4,5-trimethoxy-3,6-dimethyl-;92421-47-1;2,4,5-Trimethoxy-3,6-dimethylbenzaldehyde;SCHEMBL9021987;DTXSID70462313

Chemical Property of Benzaldehyde, 2,4,5-trimethoxy-3,6-dimethyl-

Chemical Property:

• PSA: 44.76000
• LogP: 2.14170
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzaldehyde, 2,4,5-trimethoxy-3,6-dimethyl-

There total 6 articles about Benzaldehyde, 2,4,5-trimethoxy-3,6-dimethyl- 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: 90.0%

Dichloromethyl methyl ether (4885-02-3) + 3,6-dimethyl-1,2,4-trimethoxybenzene (92421-46-0) → 2,5-dimethyl-3,4,6-trimethoxybenzaldehyde (92421-47-1)

Guidance literature:

With titanium tetrachloride; In dichloromethane; Ambient temperature;

DOI:10.1021/ja00243a032

Reference yield:

2,5-Dimethyl-1,4-benzoquinone (137-18-8) → 2,5-dimethyl-3,4,6-trimethoxybenzaldehyde (92421-47-1)

Guidance literature:

Multi-step reaction with 3 steps

2: 75 percent / NaOH / methanol; H₂O

3: 90 percent / TiCl₄ / CH₂Cl₂ / Ambient temperature

With sodium hydroxide; titanium tetrachloride; In methanol; dichloromethane; water;

DOI:10.1021/ja00243a032

Reference yield:

2,5-dimethyl-3,4-di-acetoxyphenyl acetate (40853-36-9) → 2,5-dimethyl-3,4,6-trimethoxybenzaldehyde (92421-47-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / NaOH / methanol; H₂O

2: 90 percent / TiCl₄ / CH₂Cl₂ / Ambient temperature

With sodium hydroxide; titanium tetrachloride; In methanol; dichloromethane; water;

DOI:10.1021/ja00243a032

upstream raw materials:

Dichloromethyl methyl ether

3,6-dimethyl-1,2,4-trimethoxybenzene

4-hydroxy-2,5-dimethoxy-3,6-dimethylbenzaldehyde

methyl iodide

Downstream raw materials:

2,5-dimethyl-3,4,6-trimethoxybenzyl alcohol

5-Pyridin-3-yl-2-[1-(2,4,5-trimethoxy-3,6-dimethyl-phenyl)-meth-(E)-ylidene]-pentanoic acid ethyl ester

6-Pyridin-3-yl-2-[1-(2,4,5-trimethoxy-3,6-dimethyl-phenyl)-meth-(E)-ylidene]-hexanoic acid ethyl ester

ethyl (E)-3-(2,4,5-trimethoxy-3,6-dimethylphenyl)-2-[5-(pyridin-3-yl)pentyl]-2-propenoate