2,4-Bis(1-methyl-1-phenylethyl)phenol

Base Information

• Chemical Name: 2,4-Bis(1-methyl-1-phenylethyl)phenol
• CAS No.: 2772-45-4
• Deprecated CAS: 68957-56-2,106060-52-0
• Molecular Formula: C24H26O
• Molecular Weight: 330.47
• Hs Code.: 2907199090
• European Community (EC) Number: 220-466-0
• UNII: 9U10Z6U3JP
• DSSTox Substance ID: DTXSID7029241
• Nikkaji Number: J299.227B
• Wikidata: Q27273223
• ChEMBL ID: CHEMBL3183863
• Mol file: 2772-45-4.mol

Synonyms:2,4-bis(alpha,alpha-dimethylbenzyl)phenol;AH5 phenol cpd

Chemical Property of 2,4-Bis(1-methyl-1-phenylethyl)phenol

Chemical Property:

• Vapor Pressure: 2.15E-08mmHg at 25°C
• Melting Point: 63-65 °C(lit.)
• Refractive Index: 1.578
• Boiling Point: 441.1 °C at 760 mmHg
• PKA: 10.71±0.10(Predicted)
• Flash Point: 204.9 °C
• PSA: 20.23000
• Density: 1.051 g/cm³
• LogP: 6.04400
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 330.198365449
• Heavy Atom Count: 25
• Complexity: 412

Purity/Quality:

99.9% ^*data from raw suppliers

2,4-Bis ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 26-27-36/39-36
• Safety Statements: 26-27-28-36/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3
• Uses: UV Stabilizer and Antioxidant Intermediate 2,4-bis(2-Phenylpropan-2-yl)phenol is used as a reagent in ring opening polymerization reactions of cyclic esters. It is an intermediate in the synthesis of Benzotriazole BT (B206990), a low volatile benzotriazole UV light absorber and stabilizer. 2,4-Bis(α,α-dimethylbenzyl)phenol may be used in the preparation of a novel ligand, 2,2′-methylenebis(4,6-di(1-methyl-1-phenylethyl)phenol) (MMPEP-H2).

Technology Process of 2,4-Bis(1-methyl-1-phenylethyl)phenol

There total 10 articles about 2,4-Bis(1-methyl-1-phenylethyl)phenol 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: 94.6%

p-cumylphenol (599-64-4) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 2,4-di-cumylphenol (2772-45-4,106060-52-0)

Guidance literature:

With toluene-4-sulfonic acid; In Petroleum ether; at 75 ℃; Inert atmosphere;

Reference yield: 94.6%

→ 2,4-di-cumylphenol (2772-45-4,106060-52-0)

Guidance literature:

With toluene-4-sulfonic acid; In Petroleum ether; at 75 ℃; Inert atmosphere;

Reference yield: 86.0%

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) + phenol (108-95-2,27073-41-2) → p-cumylphenol (599-64-4) + 2,4-di-cumylphenol (2772-45-4,106060-52-0)

Guidance literature:

With decacarbonyldirhenium⁽⁰⁾; In toluene; at 150 ℃; for 24h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/ja904360k

upstream raw materials:

isopropenylbenzene

phenol

p-cumylphenol

Downstream raw materials:

2,2'-dithiobis[4,6-di-(2-phenyl-2-propyl)phenol]

C₄₈H₅₀O₄S

2-hydroxy-3,5-dicumylbenzaldehyde

2,4,8,10-tetrakis-(1-methyl-1-phenyl-ethyl)-6-(2,2,2-trifluoro-ethoxy)-5,7-dioxa-12-thia-6-phospha-dibenzo[a,d]cyclooctene 12,12-dioxide