2,4-Dimethoxybenzaldehyde

Base Information

• Chemical Name: 2,4-Dimethoxybenzaldehyde
• CAS No.: 613-45-6
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29124900
• European Community (EC) Number: 210-342-4
• NSC Number: 27023
• UNII: MM3U32AQ5F
• DSSTox Substance ID: DTXSID3022081
• Nikkaji Number: J79.736G
• Wikipedia: 2,4-Dimethoxybenzaldehyde
• Wikidata: Q4596778
• Metabolomics Workbench ID: 128374
• ChEMBL ID: CHEMBL234216
• Mol file: 613-45-6.mol

Synonyms:2,4-dimethoxybenzaldehyde

Chemical Property of 2,4-Dimethoxybenzaldehyde

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.00071mmHg at 25°C
• Melting Point: 67-69 °C(lit.)
• Refractive Index: 1.534
• Boiling Point: 307.8 °C at 760 mmHg
• Flash Point: 124.7 °C
• PSA: 35.53000
• Density: 1.114 g/cm³
• LogP: 1.51630
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform
• Water Solubility.: insoluble
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzaldehydes
• Canonical SMILES: COC1=CC(=C(C=C1)C=O)OC
• Uses: A component of hair dyes 2,4-Dimethoxybenzaldehyde is used as a reagent to specifically quantify phlorotannins. It is also used as a component of hair dyes.

Technology Process of 2,4-Dimethoxybenzaldehyde

There total 127 articles about 2,4-Dimethoxybenzaldehyde 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%

2,4-dimethoxylbenzyl alcohol (7314-44-5) → 2,4-Dimethoxybenzaldehyde (613-45-6)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.0333333h; Microwave irradiation;

DOI:10.33224/rrch.2020.65.3.08

Reference yield: 98.0%

2,4-dimethoxybenzaldehyde semicarbazone (3030-94-2) → 2,4-Dimethoxybenzaldehyde (613-45-6)

Guidance literature:

With benzyltriphenylphosphonium peroxodisulfate; In acetonitrile; for 0.166667h; Heating;

DOI:10.1080/714040975

Reference yield: 95.0%

2-(2,4-dimethoxy-phenyl)-[1,3]oxathiolane → 2,4-Dimethoxybenzaldehyde (613-45-6)

Guidance literature:

2-(2,4-dimethoxy-phenyl)-[1,3]oxathiolane; With acetyl chloride; sodium nitrite; In dichloromethane; at 0 - 5 ℃; for 0.25h;

With water; In dichloromethane; at 0 - 20 ℃; for 0.25h;

DOI:10.1055/s-2003-37115

upstream raw materials:

diazomethane

diethyl ether

2,4-Dihydroxybenzaldehyde

2,4-dimethoxycinnamic acid

Downstream raw materials:

1-(2,4-dimethoxybenzyl)piperidine

5-[(2,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

N-[5-(2,4-dimethoxy-benzylidene)-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-acetamide

(Z)-2-(2,4-dimethoxybenzylidene)benzofuran-3(2H)-one

Refernces

• 1、 Woldu, Yordanos,Abegaz, Berhanu,Botta, Bruno,Monache, Giuliano Delle,Monache, Franco Delle. "STYRENES FROM DORSTENIA BARNIMIANA". . p. 1227 - 1228. Retrieved 1988.
• 2、 Krivtsov, Igor,Ilkaeva, Marina,García-López, Elisa I.,Marcì, Giuseppe,Palmisano, Leonardo,Bartashevich, Ekaterina,Grigoreva, Ekaterina,Matveeva, Ksenia,Díaz, Eva,Ordó?ez, Salvador. "Effect of Substituents on Partial Photocatalytic Oxidation of Aromatic Alcohols Assisted by Polymeric C3N4". . p. 2713 - 2724. Retrieved 2019.
• 3、 Nanda, Binita,Nanda, Braja B.,Pradhan, Manas Ranjan,Rath, Dharitri,Sethi, Ratikanta. "α-MnO2 modified exfoliated porous g-C3N4 nanosheet (2D) for enhanced photocatalytic oxidation efficiency of aromatic alcohols". . . Retrieved 2021/06/18.
• 4、 Lagerspets, Emi,Valbonetti, Evelyn,Eronen, Aleksi,Repo, Timo. "A new catalytic approach for aerobic oxidation of primary alcohols based on a Copper(I)-thiophene carbaldimines". . . Retrieved 2021/06/03.