2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate

Base Information

• Chemical Name: 2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate
• CAS No.: 4221-80-1
• Deprecated CAS: 107528-48-3,114757-48-1,122304-64-7,68822-27-5,71958-80-0,1262872-66-1,114757-48-1,122304-64-7,68822-27-5,71958-80-0
• Molecular Formula: C29H42O3
• Molecular Weight: 438.651
• Hs Code.: 2918290000
• European Community (EC) Number: 224-166-0
• UNII: M2AC510TZ8
• DSSTox Substance ID: DTXSID5063364
• Nikkaji Number: J76.336E
• Wikidata: Q27283386
• Mol file: 4221-80-1.mol

Synonyms:3,5-ditert-butyl-4-hydroxy-(2,4-ditert-butylphenyl)benzoate;benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4- bis(1,1-dimethylethyl)phenyl ester;DBHDBPB

Chemical Property of 2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 1.73E-11mmHg at 25°C
• Melting Point: 195-197 °C
• Refractive Index: 1.52
• Boiling Point: 521.3 °C at 760 mmHg
• PKA: 8.70±0.40(Predicted)
• Flash Point: 191.3 °C
• PSA: 46.53000
• Density: 1.001 g/cm³
• LogP: 7.80140
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 438.31339520
• Heavy Atom Count: 32
• Complexity: 613

Purity/Quality:

99% ^*data from raw suppliers

3,5-Di ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C
• Uses: UV 120 is particularly useful for stabilizing pigmented polymers, especially where the pigment itself promotes polymer degradation. It does not absorb visible light, therefore, it does not add any initial color to the substrate or polymer.

Technology Process of 2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate

There total 4 articles about 2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate 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: 90.0%

2,4-di-tert-Butylphenol (96-76-4) + methyl 3,5-di-tert-butyl-4-hydroxybenzoate (2511-22-0) → 3,5-di-tert-butyl-4-hydroxybenzoic acid 2,4-di-tert-butyl-phenyl ester (4221-80-1)

Guidance literature:

2,4-di-tert-Butylphenol; With sodium methylate; at 120 ℃; for 10h; under 675.068 Torr;

methyl 3,5-di-tert-butyl-4-hydroxybenzoate; at 150 ℃; for 5h; Reagent/catalyst; Temperature; Pressure;

Reference yield: 88.1%

2,4-di-tert-Butylphenol (96-76-4) + 3,5-Di-tert-butyl-4-hydroxybenzoic acid (1421-49-4) → 3,5-di-tert-butyl-4-hydroxybenzoic acid 2,4-di-tert-butyl-phenyl ester (4221-80-1)

Guidance literature:

With oxalyl dichloride; In toluene; at 80 - 120 ℃; for 2h; Temperature; Solvent; Reagent/catalyst;

Reference yield: 72.0%

2,4-di-tert-Butylphenol (96-76-4) + tert-butyl 3,5-di-tert-butyl-4-hydroxybenzoate (51517-24-9) → 3,5-di-tert-butyl-4-hydroxybenzoic acid 2,4-di-tert-butyl-phenyl ester (4221-80-1)

Guidance literature:

2,4-di-tert-Butylphenol; With lithium methanolate; at 140 ℃; for 6h; under 712.571 Torr;

tert-butyl 3,5-di-tert-butyl-4-hydroxybenzoate; at 150 ℃; for 5h;

upstream raw materials:

2,4-di-tert-Butylphenol

3,5-Di-tert-butyl-4-hydroxybenzoic acid

methyl 3,5-di-tert-butyl-4-hydroxybenzoate

tert-butyl 3,5-di-tert-butyl-4-hydroxybenzoate

Refernces

• 1、 -. "Preparation method for 2,4-di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate". Paragraph 0016; 0018; 0019; 0020; 0021; 0022; 0023; 0024. . Retrieved 2018/06/16.