3-Tert-butyl-2-hydroxy-5-methylbenzaldehyde

Base Information

• Chemical Name: 3-Tert-butyl-2-hydroxy-5-methylbenzaldehyde
• CAS No.: 41715-31-5
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID20406404
• Nikkaji Number: J1.249.060G
• Wikidata: Q82211352
• Mol file: 41715-31-5.mol

Synonyms:3-tert-butyl-2-hydroxy-5-methylbenzaldehyde;41715-31-5;3-t-butyl-5-methylsalicylaldehyde;3-tert-butyl-5-methylsalicylaldehyde;3-(tert-butyl)-2-hydroxy-5-methylbenzaldehyde;SCHEMBL311105;Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-methyl-;DTXSID20406404;RJROKCYCTSJZEP-UHFFFAOYSA-N;AKOS000113336;3-t-butyl-2-hydroxy-5-methyl-benzaldehyde;2-hydroxy-3-tert.butyl-5-methylbenzaldehyde;3-tert-butyl-5-methyl-2-hydroxybenzaldehyde;CS-0350006;2-hydroxy-3-tert.butyl-5-methylbenzalde-hyde;EN300-1276574

Chemical Property of 3-Tert-butyl-2-hydroxy-5-methylbenzaldehyde

Chemical Property:

• PSA: 37.30000
• LogP: 2.81060
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C=O

Technology Process of 3-Tert-butyl-2-hydroxy-5-methylbenzaldehyde

There total 7 articles about 3-Tert-butyl-2-hydroxy-5-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: 95.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-tert-Butyl-4-methylphenol (2409-55-4) → 3-tert-butyl-5-methylsalicylaldehyde (41715-31-5)

Guidance literature:

In acetonitrile; at 100 - 110 ℃; for 2h; Inert atmosphere;

Reference yield: 85.0%

2-tert-Butyl-4-methylphenol (2409-55-4) + carbon monoxide (201230-82-2) → 3-tert-butyl-5-methylsalicylaldehyde (41715-31-5)

Guidance literature:

With 2,6-dimethylpyridine; tin(IV) chloride; In toluene; at 100 ℃; for 8h;

DOI:10.1039/dt9960000405

Reference yield: 60.0%

2-t-butyl-2-methylphenol + paracetaldehyde (123-63-7) → 3-tert-butyl-5-methylsalicylaldehyde (41715-31-5)

Guidance literature:

2-t-butyl-2-methylphenol; With 2,6-dimethylpyridine; tin(IV) chloride; In toluene; at 20 ℃; for 0.333333h; Inert atmosphere;

paracetaldehyde; In toluene; at 100 ℃; for 5h; Inert atmosphere;

DOI:10.1155/2012/634572

upstream raw materials:

formaldehyd

2-tert-Butyl-4-methylphenol

hexamethylenetetramine

carbon monoxide

Downstream raw materials:

(R,R)-N,N'-bis(3-tert-butyl-5-methylsalicylidene)-1,2-cyclohexanediamine

3-tert-butyl-5-methylsalicylaldoxime

3-(tert-butyl)-2-hydroxy-5-methylbenzonitrile

(S)-2-(tert-butyl)-6-(4-isopropyl-4,5-dihydrooxazol-2-yl)-4-methylphenol