4-tert-Butyl-2-hydroxybenzaldehyde

Base Information

• Chemical Name: 4-tert-Butyl-2-hydroxybenzaldehyde
• CAS No.: 66232-34-6
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2912490090
• DSSTox Substance ID: DTXSID30548849
• Nikkaji Number: J1.379.158I
• Wikidata: Q72503284
• Mol file: 66232-34-6.mol

Synonyms:4-tert-Butyl-2-hydroxybenzaldehyde;66232-34-6;4-(tert-butyl)-2-hydroxybenzaldehyde;4-tert-Butylsalicylaldehyde;4-tert-Butylsalicylaldehy;4-tert-butyl-2-hydroxy-benzaldehyde;4-tert-butyl-2-hydroxy benzaldehyde;4-t-butyl salicylaldehyde;SCHEMBL1527058;DTXSID30548849;UYRSLWPKZKASRB-UHFFFAOYSA-N;2-hydroxy-4-tert.butylbenzaldehyde;AMY31510;2-hydroxy-4-tert.butyl-benzaldehyde;AC-771;MFCD06412558;AKOS006345722;PS-8556;CS-0106379;4-tert-Butyl-2-hydroxybenzaldehyde, AldrichCPR;EN300-7368101;A835379;W-200269;Z1201623529;3-Pyridinecarboxylicacid2-[[3-(trifluoromethyl)phenyl]-amino]-2-(4-morpholinyl)-ethylester

Chemical Property of 4-tert-Butyl-2-hydroxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 262.916 °C at 760 mmHg
• PKA: 8.29±0.10(Predicted)
• Flash Point: 109.169 °C
• PSA: 37.30000
• Density: 1.072 g/cm³
• LogP: 2.50220
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

4-tert-Butyl-2-hydroxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)C=O)O
• Uses: 4-tert-Butyl-2-hydroxybenzaldehyde is a useful chemical in organic synthesis.

Technology Process of 4-tert-Butyl-2-hydroxybenzaldehyde

There total 7 articles about 4-tert-Butyl-2-hydroxybenzaldehyde 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: 78.7%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-tert-butylphenyol (585-34-2) → 4-tert-butyl-2-hydroxybenzaldehyde (66232-34-6)

Guidance literature:

3-tert-butylphenyol; With ethylmagnesium bromide; In diethyl ether; at 20 ℃; for 16h;

formaldehyd; With N,N,N,N,N,N-hexamethylphosphoric triamide; In benzene; Heating;

DOI:10.1016/j.chemphyslip.2003.08.004

Reference yield: 61.0%

4-tert-Butylbenzaldehyde (939-97-9) → 4-tert-butyl-2-hydroxybenzaldehyde (66232-34-6)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; bis-[(trifluoroacetoxy)iodo]benzene; In 1,2-dichloro-ethane; at 100 ℃; for 8h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201405647

Reference yield: 56.0%

3-tert-butylphenyol (585-34-2) → 4-tert-butyl-2-hydroxybenzaldehyde (66232-34-6) + salicylaldehyde (90-02-8)

Guidance literature:

With trifluoroacetic acid; In water;

upstream raw materials:

formaldehyd

3-tert-butylphenyol

hexamethylenetetramine

4-tert-Butylbenzaldehyde

Downstream raw materials:

2-hydroxymethyl-5-t-butylphenol

5-tert-butyl-2-[(propylamino)methyl]phenol

trifluoro-methanesulfonic acid 5-tert-butyl-2-formyl-phenyl ester

5-(tert-butyl)-2-methylphenol