Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-3-3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl-1-oxopropoxymethyl-2-(hydroxymethyl)-1,3-propanediyl ester

Base Information

• Chemical Name: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-3-3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl-1-oxopropoxymethyl-2-(hydroxymethyl)-1,3-propanediyl ester
• CAS No.: 84633-54-5
• Molecular Formula: C56H84 O10
• Molecular Weight: 917.277
• Mol file: 84633-54-5.mol

Synonyms:Benzenepropanoicacid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,2-[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-2-(hydroxymethyl)-1,3-propanediylester (9CI); Pentaerythritol tris ester with 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionicacid

Chemical Property of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-3-3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl-1-oxopropoxymethyl-2-(hydroxymethyl)-1,3-propanediyl ester

Chemical Property:

• Boiling Point: 822.1±60.0 °C(Predicted)
• PKA: 11.84±0.40(Predicted)
• PSA: 159.82000
• Density: 1.085±0.06 g/cm3(Predicted)
• LogP: 11.39490

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: An antioxidant for plastics.

Technology Process of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-3-3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl-1-oxopropoxymethyl-2-(hydroxymethyl)-1,3-propanediyl ester

There total 4 articles about Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-3-3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl-1-oxopropoxymethyl-2-(hydroxymethyl)-1,3-propanediyl ester 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:

bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyloxymethyl]bis(hydroxymethyl)methane (36913-60-7) + methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate (6386-38-5) → tris[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyloxymethyl](hydroxymethyl)methane (84633-54-5)

Guidance literature:

lithium hydroxide; zinc(II) octanoate; at 175 ℃; for 3 - 27h; Product distribution / selectivity;

Reference yield:

potassium 2,6-di-tert-butylphenolate (24676-69-5) → tris[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyloxymethyl](hydroxymethyl)methane (84633-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfoxide / 3 h / 115 °C

2: sodium hydroxide / 97.51 Torr

With sodium hydroxide; In dimethyl sulfoxide;

DOI:10.1007/s11172-012-0234-z

Reference yield:

Pentaerythritol (115-77-5) + methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate (6386-38-5) → tris[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyloxymethyl](hydroxymethyl)methane (84633-54-5)

Guidance literature:

With sodium hydroxide; under 97.5098 Torr;

DOI:10.1007/s11172-012-0234-z

upstream raw materials:

bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyloxymethyl]bis(hydroxymethyl)methane

methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate

potassium 2,6-di-tert-butylphenolate

Pentaerythritol

Downstream raw materials:

ester of 3,5-di-tert-butyl-4-hydroxyphenylpropionic acid and pentaerythritol

Refernces

• 1、 -. "PREPARATION OF TETRAKIS [3-(E,5-DI-TERT-BUTYL-4-HYDROXY PHENYL) PROPIONYL OXYMETHYL] METHANE". Page/Page column 4-6. . Retrieved 2008/06/13.