3,4,5-Trimethoxybenzaldehyde dimethyl acetal

Base Information

• Chemical Name: 3,4,5-Trimethoxybenzaldehyde dimethyl acetal
• CAS No.: 59276-37-8
• Molecular Formula: C12H18O5
• Molecular Weight: 242.272
• European Community (EC) Number: 628-293-6
• DSSTox Substance ID: DTXSID00400642
• Nikkaji Number: J303.117I
• Wikidata: Q82203648
• Mol file: 59276-37-8.mol

Synonyms:3,4,5-Trimethoxybenzaldehyde dimethyl acetal;59276-37-8;5-(dimethoxymethyl)-1,2,3-trimethoxybenzene;SCHEMBL9135690;DTXSID00400642;PEZMUQHWXSFOIK-UHFFFAOYSA-N;AS-66091;3,4,5-trimethoxybenzaldehyde dimethyl ketal;1,2,3-Trimethoxy-5-(dimethoxymethyl)benzene;D93175;3,4,5-Trimethoxybenzaldehyde dimethyl acetal, 98%

Chemical Property of 3,4,5-Trimethoxybenzaldehyde dimethyl acetal

Chemical Property:

• Vapor Pressure: 0.00324mmHg at 25°C
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 292.3 °C at 760 mmHg
• Flash Point: 111.1 °C
• PSA: 46.15000
• Density: 1.08 g/cm³
• LogP: 2.00380
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 242.11542367
• Heavy Atom Count: 17
• Complexity: 193

Purity/Quality:

98%Min ^*data from raw suppliers

3,4,5-Trimethoxybenzaldehyde dimethyl acetal 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(OC)OC

Technology Process of 3,4,5-Trimethoxybenzaldehyde dimethyl acetal

There total 4 articles about 3,4,5-Trimethoxybenzaldehyde dimethyl acetal 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: 100.0%

3,4,5-trimethoxy-benzaldehyde (86-81-7) + trimethyl orthoformate (149-73-5) → 3,4,5-trimethoxybenzaldehyde dimethyl acetal (59276-37-8)

Guidance literature:

With montmorillonite K₁₀; In methanol; at 40 ℃; for 18h; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.01.097

Reference yield: 95.0%

methanol (67-56-1) + 3,4,5-trimethoxy-benzaldehyde (86-81-7) → 3,4,5-trimethoxybenzaldehyde dimethyl acetal (59276-37-8)

Guidance literature:

With hydrogenchloride; for 0.5h;

DOI:10.1016/j.tet.2007.06.105

Reference yield: 65.0%

methanol (67-56-1) + 3,4,5-trimethoxy-benzaldehyde (86-81-7) → 3,4,5-trimethoxytoluene (6443-69-2) + 3,4,5-trimethoxybenzaldehyde dimethyl acetal (59276-37-8) + 1,2,3-trimethoxy-5-(methoxymethyl)benzene (75921-68-5)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; at 20 ℃; for 0.0833333h; under 760.051 Torr;

DOI:10.1016/j.tet.2007.06.105

upstream raw materials:

3,4,5-trimethoxy-benzaldehyde

trimethyl orthoformate

methanol

Downstream raw materials:

4-butyl-3,5-dimethoxybenzaldehyde

3,5-dimethoxy-4-ethylbenzaldehyde

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

(4-Dimethoxymethyl-2,6-dimethoxy-phenyl)-trimethyl-silane

Refernces

• 1、 Wang, Pei,Zhao, Jia-Zhen,Li, Hong-Feng,Liang, Xiang-Ming,Zhang, Ya-Lun,Da, Chao-Shan. "Acid-catalyzed highly diastereoselective and effective synthesis of 1,3-disubstituted tetrahydropyrano[3,4-b]indoles". supporting information. p. 129 - 133. Retrieved 2016/12/23.
• 2、 Anikeev,Sivcev,Il'Ina,Korchagina,Statsenko,Volcho,Salakhutdinov. "Transformations of several monoterpenoids in the presence of aldehydes in supercritical solvents". . p. 382 - 387. Retrieved 2013/07/26.