Benzoic acid, 5-(1,1-diMethylethyl)-2-hydroxy-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 5-(1,1-diMethylethyl)-2-hydroxy-, ethyl ester
• CAS No.: 187273-01-4
• Molecular Formula: C13H18O3
• Molecular Weight: 222.28022
• Mol file: 187273-01-4.mol

Synonyms:Benzoic acid, 5-(1,1-diMethylethyl)-2-hydroxy-, ethyl ester

Chemical Property of Benzoic acid, 5-(1,1-diMethylethyl)-2-hydroxy-, ethyl ester

Chemical Property:

• PSA: 46.53000
• LogP: 2.86640

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid, 5-(1,1-diMethylethyl)-2-hydroxy-, ethyl ester

There total 2 articles about Benzoic acid, 5-(1,1-diMethylethyl)-2-hydroxy-, ethyl 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:

tertiary butyl chloride (507-20-0) + 2-hydroxy-benzoic acid ethyl ester (118-61-6) → 5-tert-butyl-2-hydroxy-benzoic acid ethyl ester (187273-01-4)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1021/jm960628d

Reference yield:

ethanol (64-17-5) + 5-tert-butylsalicylic acid (16094-31-8) → 5-tert-butyl-2-hydroxy-benzoic acid ethyl ester (187273-01-4)

Guidance literature:

With hydrogenchloride;

Reference yield:

5-tert-butyl-2-hydroxy-benzoic acid ethyl ester (187273-01-4) → 5-tert-butyl-N-(5-tert-butyl-3-{[tert-butyl-3-({tert-butyl-3-[(tert-butylamino)carbonyl]-2-hydroxyanilino}carbonyl)-2-hydroxyanilino]carbonyl}-2-hydroxyphenyl)-3-(pivaloylamino)-2-hydroxybenzamide

Guidance literature:

Multi-step reaction with 7 steps

1: 9.6 g / fuming HNO₃; acetic acid / 0.17 h / 40 °C

2: 74 percent / hydrogen / Pd/C / methanol / 2 h

3: 69 percent / DCC / tetrahydrofuran / 20 °C

4: 78 percent / NaOH / methanol; H₂O

5: 51 percent / DCC / tetrahydrofuran / 20 °C

6: 90 percent / NaOH / methanol; H₂O

7: 54 percent / DCC / tetrahydrofuran / 20 °C

With sodium hydroxide; hydrogen; nitric acid; acetic acid; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; methanol; water;

DOI:10.1002/anie.200461842

upstream raw materials:

ethanol

5-tert-butylsalicylic acid

tertiary butyl chloride

2-hydroxy-benzoic acid ethyl ester

Downstream raw materials:

5-t-butyl-3-ethoxycarbonyl-2-hydroxyacetophenone

ethyl 5-tert-butyl-2-hydroxy-3-nitrobenzoate

ethyl 5-tert-butyl-3-amino-2-hydroxybenzoate

5-tert-butyl-2-hydroxy-3-nitrobenzoic acid