5-(Diethoxymethyl)-1,2,3-trimethoxybenzene

Base Information

• Chemical Name: 5-(Diethoxymethyl)-1,2,3-trimethoxybenzene
• CAS No.: 101403-71-8
• Molecular Formula: C14H22O5
• Molecular Weight: 270.326
• DSSTox Substance ID: DTXSID50577873
• Nikkaji Number: J469.623I
• Wikidata: Q82467992
• Mol file: 101403-71-8.mol

Synonyms:5-(Diethoxymethyl)-1,2,3-trimethoxybenzene;101403-71-8;SCHEMBL9136813;DTXSID50577873;5-Diethoxymethyl-1,2,3-trimethoxybenzene

Chemical Property of 5-(Diethoxymethyl)-1,2,3-trimethoxybenzene

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 270.14672380
• Heavy Atom Count: 19
• Complexity: 216

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(C1=CC(=C(C(=C1)OC)OC)OC)OCC

Technology Process of 5-(Diethoxymethyl)-1,2,3-trimethoxybenzene

There total 2 articles about 5-(Diethoxymethyl)-1,2,3-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: 89.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) + orthoformic acid triethyl ester (122-51-0) → 3,4,5-Trimethoxybenzaldehyde diethyl acetal (101403-71-8)

Guidance literature:

With tropylium tetrafluoroborate; In acetonitrile; at 70 ℃; for 5h; Inert atmosphere; Green chemistry;

DOI:10.1039/c7gc01519d

Reference yield: 68.0%

ethanol (64-17-5) + 3,4,5-trimethoxy-benzaldehyde (86-81-7) → 3,4,5-Trimethoxybenzaldehyde diethyl acetal (101403-71-8)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; for 1h;

DOI:10.1016/j.tet.2007.06.105

Reference yield: 93.0%

3,4,5-Trimethoxybenzaldehyde diethyl acetal (101403-71-8) → 3,5-Dimethoxybenzaldehyde diethyl acetal (140464-69-3)

Guidance literature:

With sodium; In tetrahydrofuran; for 24h; Ambient temperature;

DOI:10.1021/jo00037a029

upstream raw materials:

ethanol

3,4,5-trimethoxy-benzaldehyde

orthoformic acid triethyl ester

Downstream raw materials:

C₃₀H₃₄O₇

3,5-Dimethoxybenzaldehyde diethyl acetal

3,5-dimethoxy-1-(1,3-dioxolan-2-yl)benzene

methyl 2,6-dimethoxy-4-(α,α-diethoxymethyl)benzoate