Butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

Base Information

• Chemical Name: Butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
• CAS No.: 52449-44-2
• Molecular Formula: C21H34O3
• Molecular Weight: 334.499
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID401335359
• Nikkaji Number: J1.981.196D
• Mol file: 52449-44-2.mol

Synonyms:SCHEMBL2603374;Butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate;DTXSID401335359;52449-44-2;NS00077771;Butyl 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxybenzenepropanoate

Chemical Property of Butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

Chemical Property:

• PSA: 46.53000
• LogP: 5.26310
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 334.25079494
• Heavy Atom Count: 24
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Technology Process of Butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

There total 7 articles about Butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate 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:

acrylic acid n-butyl ester (141-32-2,9003-49-0) + 2,6-di-tert-butylphenol (128-39-2) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate (52449-44-2) + methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate (6386-38-5)

Guidance literature:

2,6-di-tert-butylphenol; potassium hydroxide; In water; at 146 ℃; for 4 - 8h;

acrylic acid n-butyl ester; acrylic acid methyl ester; In water; at 135 - 141 ℃; for 10h;

With magnesium silicate; In water; Product distribution / selectivity;

Reference yield:

acrylic acid n-butyl ester (141-32-2,9003-49-0) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate (52449-44-2) + methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate (6386-38-5)

Guidance literature:

2,6-di-tert-butylphenol; potassium hydroxide; In water; at 146 ℃; for 2 - 4h;

acrylic acid n-butyl ester; acrylic acid methyl ester; In water; at 135 - 141 ℃; for 2.25h; Product distribution / selectivity;

Reference yield:

acrylic acid n-butyl ester (141-32-2,9003-49-0) + 2,6-di-tert-butylphenol (128-39-2) → butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate (52449-44-2)

Guidance literature:

2,6-di-tert-butylphenol; With potassium hydroxide; at 135 ℃; for 2.58333h; Heating / reflux;

acrylic acid n-butyl ester; at 135 ℃; for 3.5h;

With florisil; for 2h;

upstream raw materials:

acrylic acid n-butyl ester

2,6-di-tert-butylphenol

2-Ethylhexyl acrylate

acrylic acid methyl ester