2,4,6-Trimethoxy-3-methylbenzaldehyde

Base Information

• Chemical Name: 2,4,6-Trimethoxy-3-methylbenzaldehyde
• CAS No.: 81574-58-5
• Molecular Formula: C11H14 O4
• Molecular Weight: 210.23
• DSSTox Substance ID: DTXSID90452155
• Nikkaji Number: J2.447.035K
• Wikidata: Q82272584
• Mol file: 81574-58-5.mol

Synonyms:2,4,6-TRIMETHOXY-3-METHYLBENZALDEHYDE;81574-58-5;2,4,6-trimethoxy-3-methyl-benzaldehyde;2,4,6-Trimethoxy-3-methyl-benzaldehyd;DTXSID90452155;3-methyl-2,4,6-tri-methoxy benzaldehyde;FT-0641835;A840164;2,4,6-Trimethoxy-3-methylbenzaldehyde, AldrichCPR

Chemical Property of 2,4,6-Trimethoxy-3-methylbenzaldehyde

Chemical Property:

• Vapor Pressure: 3.15E-05mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 355.3°C at 760 mmHg
• Flash Point: 158.4°C
• PSA: 44.76000
• Density: 1.11g/cm³
• LogP: 1.83330
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

2,4,6-Trimethoxy-3-methyl-benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-Trimethoxy-3-methylbenzaldehyde

There total 3 articles about 2,4,6-Trimethoxy-3-methylbenzaldehyde 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: 99.0%

2,4,6-trimethoxytoluene (14107-97-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,4,6-trimethoxy-3-methylbenzaldehyde (81574-58-5)

Guidance literature:

With trichlorophosphate; for 2h; Ambient temperature;

DOI:10.1016/S0957-4166(99)00266-9

Reference yield:

1,2,3-trimethoxybenzene (621-23-8) → 2,4,6-trimethoxy-3-methylbenzaldehyde (81574-58-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 36.9 g / phosphoryl chloride / 1.5 h / Ambient temperature

2: 21.3 g / zinc amalgam, hydrochloric acid / acetic acid; H₂O / 2 h / Heating

3: 18.0 g / phosphoryl chloride / 1.5 h / Ambient temperature

With hydrogenchloride; amalgamated zinc; trichlorophosphate; In water; acetic acid;

Reference yield:

2,4,6-trihydroxy-3-methylbenzaldehyde (55743-13-0) + dimethyl sulfate (77-78-1) → 2,4,6-trimethoxy-3-methylbenzaldehyde (81574-58-5)

Guidance literature:

With potassium carbonate; acetone;

DOI:10.1039/jr9560003209

upstream raw materials:

2,4,6-trihydroxy-3-methylbenzaldehyde

dimethyl sulfate

2,4,6-trimethoxytoluene

N,N-dimethyl-formamide

Downstream raw materials:

2,4,6-trimethoxy-3-methylphenol

1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)ethanone

1,3,5-trimethoxy-2,4-dimethyl benzene