2-(3,4-Dimethoxyphenyl)acetaldehyde

Base Information

• Chemical Name: 2-(3,4-Dimethoxyphenyl)acetaldehyde
• CAS No.: 5703-21-9
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2912499000
• European Community (EC) Number: 227-189-4
• UNII: CS521IRB51
• DSSTox Substance ID: DTXSID10205640
• Nikkaji Number: J61.275H
• Wikidata: Q27275738
• Mol file: 5703-21-9.mol

Synonyms:2-(3,4-dimethoxyphenyl)acetaldehyde;5703-21-9;(3,4-Dimethoxyphenyl)acetaldehyde;3,4-dimethoxybenzeneacetaldehyde;Homoveratric aldehyde;3,4-dimethoxyphenylacetaldehyde;EINECS 227-189-4;UNII-CS521IRB51;CS521IRB51;MFCD02261749;SCHEMBL557409;3.4-dimethoxyphenylacetaldehyde;AMY4032;DTXSID10205640;Benzeneacetaldehyde, 3,4-dimethoxy-;AKOS005255055;AS-49999;CS-0036402;FT-0776039;ACETALDEHYDE, (3,4-DIMETHOXYPHENYL)-;O10461;EN300-1851264;Q27275738;Z1020779916

Chemical Property of 2-(3,4-Dimethoxyphenyl)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.00381mmHg at 25°C
• Refractive Index: 1.5426 (estimate)
• Boiling Point: 280.3°Cat760mmHg
• Flash Point: 114.1°C
• PSA: 35.53000
• Density: 1.075g/cm³
• LogP: 1.44520
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99%, ^*data from raw suppliers

2-(3,4-Dimethoxyphenyl)acetaldehyde ^*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)CC=O)OC

Technology Process of 2-(3,4-Dimethoxyphenyl)acetaldehyde

There total 47 articles about 2-(3,4-Dimethoxyphenyl)acetaldehyde 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%

1,2-dimethoxy-4-(2-propenyl)benzene (93-15-2) → 3,4-dimethoxyphenylacetaldehyde (5703-21-9)

Guidance literature:

With oxygen; In acetonitrile; for 12h; Ambient temperature; Irradiation;

DOI:10.1016/S0040-4039(00)79345-2

Reference yield: 100.0%

1,2-dimethoxy-4-(2-nitroethyl)benzene (70360-83-7) → 3,4-dimethoxyphenylacetaldehyde (5703-21-9)

Guidance literature:

1,2-dimethoxy-4-(2-nitroethyl)benzene; With sodium hydroxide; In ethanol; at 25 ℃; for 0.166667h;

With sulfuric acid; In water; pentane; at 0 - 25 ℃; for 6h;

DOI:10.1080/00397910903435411

Reference yield: 93.0%

(methoxymethyl)triphenylphosphonium chloride (4009-98-7) + 3,4-dimethoxy-benzaldehyde (120-14-9) → 3,4-dimethoxyphenylacetaldehyde (5703-21-9)

Guidance literature:

(methoxymethyl)triphenylphosphonium chloride; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h;

3,4-dimethoxy-benzaldehyde; In tetrahydrofuran; at 20 ℃; for 12h;

With formic acid; In dichloromethane; at 20 ℃; for 72h; Further stages.;

DOI:10.1021/jo001397s

upstream raw materials:

chloroform

3-(3,4-dimethoxyphenyl)propane-1,2-diol

lead(IV) tetraacetate

1,2-dimethoxy-4-(2-propenyl)benzene

Downstream raw materials:

Tetrahydropapaverine

4-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-morpholine

2-(3,4-dimethoxyphenyl)-1-(isopropylamino)ethane

1-(3,4-dimethoxyphenyl)pent-4-en-2-ol

Refernces

• 1、 Damsen, Helena,Niggemann, Meike. "Calcium-Catalyzed Synthesis of 1,2-Disubstituted 3-Benzazepines". . p. 7880 - 7883. Retrieved 2015.
• 2、 Oestreich, Martin,Papadopulu, Zaneta. "Kinetic Resolution of Neopentylic Secondary Alcohols by Cu-H-Catalyzed Enantioselective Silylation with Hydrosilanes". supporting information. p. 438 - 441. Retrieved 2021/01/13.
• 3、 -. "METHOD OF FORMING MONOMERS AND FURFURAL FROM LIGNOCELLULOSE". Page/Page column 20; 22; 23. . Retrieved 2020/06/05.