3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER

Base Information

• Chemical Name: 3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER
• CAS No.: 39778-63-7
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Mol file: 39778-63-7.mol

Synonyms:4-Hydroxy-3-tert.butyl-benzoesaeuremethylester;3-t-Butyl-4-hydroxybenzoesaeuremethylester;3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER;Benzoic acid,3-(1,1-dimethylethyl)-4-hydroxy-,methyl ester;methyl 3-t-butyl-4-hydroxybenzoate;3-(1,1-dimethylethyl)-4-hydroxybenzoic acid methyl ester;

Chemical Property of 3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER

Chemical Property:

• PSA: 46.53000
• LogP: 2.47630

Purity/Quality:

99%min ^*data from raw suppliers

Methyl3-(tert-butyl)-4-hydroxybenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER

There total 10 articles about 3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL 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: 97.0%

methanol (67-56-1) + 4-hydroxy-3-tert-butyl benzoic acid (66737-88-0) → 3-(1,1-dimethylethyl)-4-hydroxybenzoic acid methyl ester (39778-63-7)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

Reference yield: 92.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 4-bromo-2-tert-butylphenol (10323-39-4) → 3-(1,1-dimethylethyl)-4-hydroxybenzoic acid methyl ester (39778-63-7)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; triethylamine; at 120 ℃; for 16h; under 25857.4 Torr;

DOI:10.1021/jm051283e

Reference yield:

methanol (67-56-1) + t-butyl bromide (507-19-7) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 3-(1,1-dimethylethyl)-4-hydroxybenzoic acid methyl ester (39778-63-7)

Guidance literature:

t-butyl bromide; methyl 4-hydroxylbenzoate; With methanesulfonic acid; at 70 ℃; for 16h;

methanol; at 50 ℃; for 3h;

upstream raw materials:

methyl 4-hydroxylbenzoate

tert-butyl alcohol

methanol

carbon monoxide

Downstream raw materials:

C₂₄H₃₀O₆S

3-(1,1-Dimethylethyl)-4-(tetradecyloxy)benzoic acid methyl ester

methyl 3-tert-butyl-4-((tert-butyldimethylsilyl)oxy)benzoate

methyl-3-tert-butyl-5-formyl-4-hydroxybenzoate

Refernces

• 1、 -. "PHENOXYMETHYL DERIVATIVES". Page/Page column 147. . Retrieved 2017/03/21.
• 2、 Yuan, Guozan,Zhu, Chengfeng,Liu, Yan,Cui, Yong. "Nano- and microcrystals of a Mn-based metal-oligomer framework showing size-dependent magnetic resonance behaviors". scheme or table. p. 3180 - 3182. Retrieved 2011/05/07.