4,6-Dimethylisophthalaldehyde

Base Information

• Chemical Name: 4,6-Dimethylisophthalaldehyde
• CAS No.: 25445-41-4
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• DSSTox Substance ID: DTXSID101275255
• Nikkaji Number: J1.862.423K
• Mol file: 25445-41-4.mol

Synonyms:4,6-dimethylisophthalaldehyde;25445-41-4;4,6-dimethylbenzene-1,3-dicarbaldehyde;1,3-Benzenedicarboxaldehyde, 4,6-dimethyl-;SCHEMBL18128766;DTXSID101275255;4,6-Dimethyl-1,3-benzenedicarboxaldehyde;E92869

Chemical Property of 4,6-Dimethylisophthalaldehyde

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C=O)C=O)C

Technology Process of 4,6-Dimethylisophthalaldehyde

There total 9 articles about 4,6-Dimethylisophthalaldehyde 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: 37.0%

4,6-bis(chloromethyl)-m-xylene (1585-15-5) → 4,6-dimethyl-1,3-benzenedicarboxaldehyde (25445-41-4)

Guidance literature:

With hexamethylenetetramine; In ethanol; water; for 16h; Reflux;

DOI:10.1371/journal.pone.0162642

Reference yield: 12.0%

2,4-dimethyl-3-penten-2-ol (56763-70-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4,6-dimethyl-1,3-benzenedicarboxaldehyde (25445-41-4)

Guidance literature:

With trichlorophosphate; for 6h; Heating;

Reference yield:

1,2,4,5-tetramethylbenzene (95-93-2) → 4,6-dimethyl-1,3-benzenedicarboxaldehyde (25445-41-4) + 2,5-dimethyl-1,4-benzenedicarboxaldehyde (7044-92-0)

Guidance literature:

1,2,4,5-tetramethylbenzene; With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; dibenzoyl peroxide; In tetrachloromethane; for 6h; Heating;

With calcium carbonate; In 1,4-dioxane; water; for 10h; Heating;

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 3h; Further stages.;

DOI:10.1021/jo026055w

upstream raw materials:

1,5-bis-hydroxymethyl-2,4-dimethyl-benzene

2,4-dimethyl-3-penten-2-ol

N,N-dimethyl-formamide

1,2,4,5-tetramethylbenzene

Downstream raw materials:

4.6-Dimethyl-1.3-bis-<1-hydroxy-3-oxo-butyl>-benzol

4,6-dimethyl-1,3-benzenediphenylimine

5-(bromomethyl)-2,4-dimethylbenzaldehyde

Refernces

• 1、 Qvortrup, Katrine,Jensen, Jakob F.,S?rensen, Mikael S.,Kouskoumvekaki, Irene,Petersen, Rasmus K.,Taboureau, Olivier,Kristiansen, Karsten,Nielsen, Thomas E.. "Synthesis and biological evaluation of dihydropyrano-[2,3-c]pyrazoles as a new class of PPAR? partial agonists". . . Retrieved 2017/03/09.
• 2、 Yakubov, Alexander P.,Tsyganov, Dmitry V.,Belen'kii, Leonid I.,Krayushkin, Mikhail M.. "Formylation and dichloromethylation as alternative directions of rieche reaction. A novel to the synthesis of sterically hindered aromatic dialdhydes". . p. 3397 - 3404. Retrieved 2007/10/02.