2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde

Base Information

• Chemical Name: 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde
• CAS No.: 103808-42-0
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID80372914
• Nikkaji Number: J897.612K
• Wikidata: Q82160889
• Mol file: 103808-42-0.mol

Synonyms:2,5-dimethoxy-3,4,6-trimethylbenzaldehyde;103808-42-0;SCHEMBL1637371;DTXSID80372914;OZPXKDPPORMRFL-UHFFFAOYSA-N;AKOS004907391;EN300-1703480;Z1509590704

Chemical Property of 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde

Chemical Property:

• Boiling Point: 338.781 °C at 760 mmHg
• Flash Point: 149.846 °C
• Density: 1.052 g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1OC)C)C=O)OC)C

Technology Process of 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde

There total 17 articles about 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde 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: 90.0%

1-bromo-2,5-dimethoxy-3,4,6-trimethylbenzene (69821-05-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,5-dimethoxy-3,4,6-trimethylbenzaldehyde (103808-42-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -20 ℃; for 0.5h;

DOI:10.1002/chem.201404458

Reference yield: 80.0%

hexamethylenetetramine (100-97-0) + 1,4-dimethoxy-2,3,5-trimethyl-benzene (4537-09-1) → 2,5-dimethoxy-3,4,6-trimethylbenzaldehyde (103808-42-0)

Guidance literature:

With trifluoroacetic acid; Heating;

DOI:10.1016/S0040-4039(00)79881-9

Reference yield: 46.0%

1,4-dimethoxy-2,3,5-trimethyl-benzene (4537-09-1) + hexamethylenetetramine → 2,5-dimethoxy-3,4,6-trimethylbenzaldehyde (103808-42-0)

Guidance literature:

In trifluoroacetic acid; for 2h; Heating;

DOI:10.1039/b716978g

upstream raw materials:

(2,5-dimethoxy-3,4,6-trimethylphenyl)methanol

(2,5-dimethoxy-3,4,6-trimethyl-benzylidene)-malonic acid

Dichloromethyl methyl ether

1,4-dimethoxy-2,3,5-trimethyl-benzene

Downstream raw materials:

2-(2,5-dimethoxy-3,4,6-trimethylphenyl)ethanamine

4-(2,5-dimethoxy-3,4,6-trimethylphenyl)butan-1-ol

Refernces

• 1、 -. "SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES". . . Retrieved 2018/10/15.
• 2、 Wu, Zhongtao,Harutyunyan, Syuzanna R.,Minnaard, Adriaan J.. "Total synthesis of (R, R, R)-γ-tocopherol through cu-catalyzed asymmetric 1,2-addition". supporting information. p. 14250 - 14255. Retrieved 2015/03/18.