1,3-Benzenedicarboxaldehyde, 2,4,6-trimethyl-

Base Information

• Chemical Name: 1,3-Benzenedicarboxaldehyde, 2,4,6-trimethyl-
• CAS No.: 15138-39-3
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID40369769
• Nikkaji Number: J1.633.489H
• Wikidata: Q82157078
• Mol file: 15138-39-3.mol

Synonyms:2,4,6-trimethylbenzene-1,3-dicarbaldehyde;15138-39-3;1,3-Benzenedicarboxaldehyde, 2,4,6-trimethyl-;2,4,6-trimethylisophthalaldehyde;2,4,6-trimethyl-benzene-1,3-dicarbaldehyde;SCHEMBL6551606;DTXSID40369769

Chemical Property of 1,3-Benzenedicarboxaldehyde, 2,4,6-trimethyl-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,3-Benzenedicarboxaldehyde, 2,4,6-trimethyl-

There total 9 articles about 1,3-Benzenedicarboxaldehyde, 2,4,6-trimethyl- 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: 94.0%

2,4-dibromomesitylene (6942-99-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,4,6-trimethylisophthalic dialdehyde (15138-39-3)

Guidance literature:

Multistep reaction.;

DOI:10.1039/b212102f

Reference yield: 93.0%

3-dichloromethyl-2,4,6-trimethylbenzaldehyde (134284-55-2) → 2,4,6-trimethylisophthalic dialdehyde (15138-39-3)

Guidance literature:

With hydrogenchloride; ethanol; for 1h; Heating;

DOI:10.1007/BF00961246

Reference yield: 12.0%

1,3-dichloro-2,4,6-trimethylbenzene (57386-83-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → mesytaldehyde (487-68-3) + 2,4,6-trimethylisophthalic dialdehyde (15138-39-3)

Guidance literature:

1,3-dichloro-2,4,6-trimethylbenzene; With naphthalene; lithium; In diethyl ether; at 20 ℃; for 4.55h;

N,N-dimethyl-formamide; In diethyl ether; at 20 ℃; Cooling with ice;

DOI:10.1021/ol302672n

upstream raw materials:

3-dichloromethyl-2,4,6-trimethylbenzaldehyde

Dichloromethyl methyl ether

1,3,5-trimethyl-benzene

2,4-dibromomesitylene