2,5-Dimethylbenzaldehyde

Base Information

• Chemical Name: 2,5-Dimethylbenzaldehyde
• CAS No.: 5779-94-2
• Molecular Formula: C9H10 O
• Molecular Weight: 134.178
• Hs Code.: 2912299000
• European Community (EC) Number: 227-303-2
• UNII: 6M224X1615
• DSSTox Substance ID: DTXSID0075449
• Nikkaji Number: J101.127H
• Wikidata: Q27265131
• Mol file: 5779-94-2.mol

Synonyms:2,5-dimethylbenzaldehyde;3,4-dimethylbenzaldehyde;DMB-aldehyde

Chemical Property of 2,5-Dimethylbenzaldehyde

Chemical Property:

• Appearance/Colour: Clear, colorless liquid.
• Vapor Pressure: 0.135mmHg at 25°C
• Refractive Index: n20/D 1.544(lit.)
• Boiling Point: 104.4-106.4 ºC (14 mmHg)
• Flash Point: 87 ºC
• PSA: 17.07000
• Density: 0.95
• LogP: 2.11590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• Water Solubility.: Not miscible in water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dimethylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzaldehydes
• Canonical SMILES: CC1=CC(=C(C=C1)C)C=O
• Uses: 2,5-Dimethylbenzaldehyde is useful for building asymmetric top molecules. 2,5-DMBA has also been used to analyze vehicle carbon emissions.

Technology Process of 2,5-Dimethylbenzaldehyde

There total 38 articles about 2,5-Dimethylbenzaldehyde 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: 98.0%

carbon monoxide (201230-82-2) + para-xylene (106-42-3) → 2,5-dimethylbenzaldehyde (5779-94-2)

Guidance literature:

With antimony pentafluoride; fluorosulphonic acid; at 0 ℃; for 1h; under 760 Torr;

DOI:10.1021/jo00035a024

Reference yield: 87.0%

2,5-dimethylbenzyl alcohol (53957-33-8) → 2,5-dimethylbenzaldehyde (5779-94-2)

Guidance literature:

With N-methylpyrrolidine-2-one hydrotribromide; In acetonitrile; for 4h; Heating;

DOI:10.1002/ejoc.200500758

Reference yield: 85.0%

2,5-dimethylstyrene (2039-89-6) → 2,5-dimethylbenzaldehyde (5779-94-2)

Guidance literature:

With sodium periodate; In water; ethyl acetate; acetonitrile; at 0 ℃; for 3.5h;

DOI:10.1055/s-0028-1087933

upstream raw materials:

formaldehyd

2,5-dimethylbenzyl chloride

hydrogen cyanide

para-xylene

Downstream raw materials:

(E)-4-(2',5'-dimethylphenyl)-but-3-en-2-one

3,5-di-tert-butyl-2'.5'-dimethylstilbene

1-(2,5-dimethylphenyl)-2-(2-benzophenanthryl)ethylene

cis-1-(2,5-dimethylphenyl)-2-(2-benzophenanthryl)ethylene

Refernces

• 1、 Wissing, Maren,Niehues, Maximilian,Ravoo, Bart Jan,Studer, Armido. "Synthesis and Immobilization of Metal Nanoparticles Using Photoactive Polymer-Decorated Zeolite L Crystals and Their Application in Catalysis". supporting information. p. 2245 - 2253. Retrieved 2020/05/05.
• 2、 Yin, Bo,Peng, Xiangjun,Huang, Panpan,Huang, Qing,Liu, Liangxian. "Novel oxidative aromatic alkene cleavage with sodium nitrite under mild conditions". supporting information. p. 2189 - 2194. Retrieved 2017/11/15.