4-Hydroxy-2,3,6-trimethylbenzaldehyde

Base Information

• Chemical Name: 4-Hydroxy-2,3,6-trimethylbenzaldehyde
• CAS No.: 41827-90-1
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• DSSTox Substance ID: DTXSID401288378
• Mol file: 41827-90-1.mol

Synonyms:4-hydroxy-2,3,6-trimethylbenzaldehyde;41827-90-1;SCHEMBL3269164;JDNVQFCVWBDQPE-UHFFFAOYSA-N;DTXSID401288378;2,3,6-trimethyl-4-hydroxybenzaldehyde

Chemical Property of 4-Hydroxy-2,3,6-trimethylbenzaldehyde

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Hydroxy-2,3,6-trimethylbenzaldehyde

There total 7 articles about 4-Hydroxy-2,3,6-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: 88.0%

2,3,6-trimethyl-4-methoxy-benzaldehyde (54344-92-2) → 4-hydroxy-2,3,6-trimethylbenzaldehyde (41827-90-1)

Guidance literature:

2,3,6-trimethyl-4-methoxy-benzaldehyde; With boron tribromide; In dichloromethane; at 0 - 20 ℃;

With water; In dichloromethane;

DOI:10.1002/anie.200803668

Reference yield: 71.0%

Dichloromethyl methyl ether (4885-02-3) + 2,3,5-trimethylphenol (697-82-5) → 4-hydroxy-2,3,6-trimethylbenzaldehyde (41827-90-1) + 2-hydroxy-3,4,6-trimethylbenzaldehyde (42374-07-2)

Guidance literature:

With titanium tetrachloride; In dichloromethane; for 4h;

DOI:10.1016/S0040-4039(03)01203-6

Reference yield:

2,3,5-trimethylphenol (697-82-5) → 4-hydroxy-2,3,6-trimethylbenzaldehyde (41827-90-1)

Guidance literature:

With hydrogenchloride; aluminium trichloride; diethyl ether; anschliessenden Behandeln mit H₂O;

upstream raw materials:

2,3,5-trimethylphenol

hydrogen cyanide

Dichloromethyl methyl ether

2-chloro-3,5,6-trimethylphenol

Downstream raw materials:

2,3,4,5-tetramethylphenol

4-(2-butynyloxy)-2,3,6-trimethylbenzaldehyde

4-(2-Pentynyloxy)-2,3,6-trimethylbenzaldehyde

2-bromo-3,4,5,6-tetramethyl-phenol