3-tert-Butyl-2-hydroxy-5-methoxybenzaldehyde

Base Information

• Chemical Name: 3-tert-Butyl-2-hydroxy-5-methoxybenzaldehyde
• CAS No.: 123013-13-8
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• European Community (EC) Number: 829-461-3
• DSSTox Substance ID: DTXSID70437506
• Nikkaji Number: J1.302.041H
• Wikidata: Q82253013
• Mol file: 123013-13-8.mol

Synonyms:123013-13-8;3-tert-Butyl-2-hydroxy-5-methoxybenzaldehyde;Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-methoxy-;3-(tert-butyl)-2-hydroxy-5-methoxybenzaldehyde;3-t-butyl-5-methoxysalicylaldehyde;SCHEMBL311610;DTXSID70437506;BSOBIHUVDDETHG-UHFFFAOYSA-N;MFCD17012735;AKOS014762705;s11837;CS-0215550;2-Hydroxy-3-tert-butyl-5-methoxybenzaldehyde;EN300-259984;Z1262471106

Chemical Property of 3-tert-Butyl-2-hydroxy-5-methoxybenzaldehyde

Chemical Property:

• PSA: 46.53000
• LogP: 2.51080
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

3-Tert-Butyl-2-hydroxy-5-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C=O)OC

Technology Process of 3-tert-Butyl-2-hydroxy-5-methoxybenzaldehyde

There total 2 articles about 3-tert-Butyl-2-hydroxy-5-methoxybenzaldehyde 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: 93.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-tert-Butyl-4-hydroxyanisole (121-00-6,1341-82-8) → 3-tert-butyl-2-hydroxy-5-methoxybenzaldehyde (123013-13-8)

Guidance literature:

With tributyl-amine; tin(IV) chloride; In toluene; at 100 ℃; for 17h;

Reference yield: 60.0%

3-tert-Butyl-4-hydroxyanisole (121-00-6,1341-82-8) + hexamethylenetetramine (100-97-0) → 3-tert-butyl-2-hydroxy-5-methoxybenzaldehyde (123013-13-8)

Guidance literature:

3-tert-Butyl-4-hydroxyanisole; hexamethylenetetramine; With acetic acid; at 110 ℃; for 2h;

With sulfuric acid; In water; at 75 - 110 ℃; for 3h;

DOI:10.1016/j.ica.2014.06.031

Reference yield: 92.0%

N,N-diallyl-p-phenylenediamine + 3-tert-butyl-2-hydroxy-5-methoxybenzaldehyde (123013-13-8) → 2-tert-butyl-6-{[4-(diallylamino)phenylimino]methyl}-4-methoxyphenol

Guidance literature:

With formic acid; In methanol; at 65 ℃;

DOI:10.1134/S1070428018040048

upstream raw materials:

3-tert-Butyl-4-hydroxyanisole

hexamethylenetetramine

formaldehyd

Downstream raw materials:

(R,R)-2,2'-[(1,2-cyclohexanediyl)bis(nitrilomethylidyne)]bis[4-methoxy-6-(1,1-dimethylethyl)phenol]

2-tert-Butyl-6-hydroxymethyl-4-methoxy-phenol

2-tert-Butyl-6-chloromethyl-4-methoxy-phenol

2-tert-Butyl-4-methoxy-6-{[(pyridin-2-ylmethyl)-amino]-methyl}-phenol