3-(3,4-Dimethoxyphenyl)propanal

Base Information

• Chemical Name: 3-(3,4-Dimethoxyphenyl)propanal
• CAS No.: 61871-67-8
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2912499000
• UNII: XP3HSJ25WK
• DSSTox Substance ID: DTXSID10448393
• Nikkaji Number: J337.940J
• Wikidata: Q82267363
• Mol file: 61871-67-8.mol

Synonyms:3-(3,4-dimethoxyphenyl)propanal;61871-67-8;Benzenepropanal, 3,4-dimethoxy-;3-(3,4-DIMETHOXY-PHENYL)-PROPIONALDEHYDE;3,4-Dimethoxybenzenepropanal;3-(3,4-Dimethoxyphenyl)propionaldehyde;XP3HSJ25WK;Benzenepropanal,3,4-dimethoxy-;UNII-XP3HSJ25WK;3,4-Dimethoxyhydrozimtaldehyd;SCHEMBL910624;3,4-dimethoxy-hydrocinnamaldehyde;DTXSID10448393;PAYWTSIBCDFXGE-UHFFFAOYSA-N;MFCD09028596;AKOS006290053;AT35119;EN300-378253;Z1198182687

Chemical Property of 3-(3,4-Dimethoxyphenyl)propanal

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Boiling Point: 283.622°C at 760 mmHg
• Flash Point: 116.087°C
• PSA: 35.53000
• Density: 1.055g/cm³
• LogP: 1.83530
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

3-(3,4-Dimethoxyphenyl)propionaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCC=O)OC

Technology Process of 3-(3,4-Dimethoxyphenyl)propanal

There total 21 articles about 3-(3,4-Dimethoxyphenyl)propanal 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%

3,4-dimethoxystyrene (6380-23-0) + carbon monoxide (201230-82-2) → 2-(3,4-di-methoxyphenyl)propionaldehyde (40181-00-8) + 3-(3,4-Dimethoxyphenyl)propanal (61871-67-8)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; sodium 4-dodecylbenzenesulfonate; Sodium; 2-[bis-(2-diphenylphosphanyl-ethyl)-carbamoyl]-benzenesulfonate; In water; toluene; at 60 ℃; under 30003 Torr;

DOI:10.1016/j.cclet.2021.07.068

Reference yield: 72.0%

1-iodo-3,4-dimethoxybenzene (5460-32-2) + allyl alcohol (107-18-6) → 2-(3,4-di-methoxyphenyl)propionaldehyde (40181-00-8) + 3-(3,4-Dimethoxyphenyl)propanal (61871-67-8)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydrogencarbonate; palladium diacetate; In N,N-dimethyl-formamide; at 40 ℃; for 24h;

DOI:10.1016/j.tet.2007.10.088

Reference yield: 65.0%

3-(3,4-dimethoxyphenyl)-1,1-ethylendioxypropane (100157-47-9) → 3-(3,4-Dimethoxyphenyl)propanal (61871-67-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 4h; Heating;

upstream raw materials:

3,4-dimethoxy-cinnamaldehyde

3-(3,4-dimethoxyphenyl)-1,1-ethylendioxypropane

1-iodo-3,4-dimethoxybenzene

allyl alcohol

Downstream raw materials:

(R)-5-(3,4-Dimethoxy-phenyl)-pent-1-yn-3-ol

2-bromo-3-(3,4-dimethoxyphenyl)propanal

N,N-diisopropyl-3-(3,4-dimethoxyphenyl)propan-1-amine

(Z)-1,2-dimethoxy-4-(4-phenyl-but-3-enyl)benzene

Refernces

• 1、 Avenda?o Villarreal, Jesus Alberto,Delolo, Fábio Godoy,Granato, Artur Vicari,Gusevskaya, Elena Vitalievna,dos Santos, Eduardo Nicolau. "The first one-pot metathesis-hydroformylation procedure: a straight synthesis of 2-arylpropanals from renewable 1-propenylbenzenes". . p. 8007 - 8013. Retrieved 2021/12/27.
• 2、 Schmid, Matthias,Sokol, Kevin R.,Wein, Lukas A.,Torres Venegas, Sofia,Meisenbichler, Christina,Wurst, Klaus,Podewitz, Maren,Magauer, Thomas. "Synthesis of Vicinal Quaternary All-Carbon Centers via Acid-catalyzed Cycloisomerization of Neopentylic Epoxides". . p. 6526 - 6531. Retrieved 2020/09/02.