Phenol, 4-methyl-, aluminum salt

Base Information

• Chemical Name: Phenol, 4-methyl-, aluminum salt
• CAS No.: 72269-62-6
• Deprecated CAS: 100783-70-8,219529-52-9,2413881-78-2,219529-52-9,2413881-78-2
• Molecular Formula: C7H8O.1/3Al
• Molecular Weight: 348.377
• DSSTox Substance ID: DTXSID80993027
• Nikkaji Number: J447.135K
• Mol file: 72269-62-6.mol

Synonyms:Aluminum p-cresoxide;Phenol, 4-methyl-, aluminum salt;72269-62-6;Phenol, 4-methyl-, aluminum salt (3:1);DTXSID80993027;Aluminium tris(4-methylphenolate);KILCCVQLHISVRW-UHFFFAOYSA-K

Chemical Property of Phenol, 4-methyl-, aluminum salt

Chemical Property:

• PSA: 23.06000
• LogP: 2.47630
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 348.1306079
• Heavy Atom Count: 25
• Complexity: 62.8

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)[O-].CC1=CC=C(C=C1)[O-].CC1=CC=C(C=C1)[O-].[Al+3]

Technology Process of Phenol, 4-methyl-, aluminum salt

There total 2 articles about Phenol, 4-methyl-, aluminum salt 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:

p-cresol (106-44-5) + aluminium (7429-90-5) → aluminium tris(p-methylphenoxide) (72269-62-6)

Guidance literature:

at 180 ℃;

DOI:10.1007/s11172-019-2509-0

Reference yield:

aluminum (III) chloride (7446-70-0,7784-13-6) + p-cresol (106-44-5) → aluminium tris(p-methylphenoxide) (72269-62-6)

Guidance literature:

at 160 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4dt01206b

Reference yield: 80.0%

1-chloro-4-(1-methylethenyl)-benzene (1712-70-5) + aluminium tris(p-methylphenoxide) (72269-62-6) → 4-methyl-2-(2-(4-chlorophenyl)propan-2-yl)phenol

Guidance literature:

at 30 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4dt01206b

upstream raw materials:

aluminum (III) chloride

p-cresol

aluminium

Downstream raw materials:

p-cresol

2,7-dimethyl-xanthene

1,1'-oxybis(4-methyl-benzene)

silicic acid tetra-4-cresylester