Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate

Base Information

• Chemical Name: Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate
• CAS No.: 27566-09-2
• Molecular Formula: C₁₄H₂₁NO₄
• Molecular Weight: 267.325
• UNII: 6VA6FJL3QT
• Mol file: 27566-09-2.mol

Synonyms:6VA6FJL3QT;SCHEMBL2585166;HWLMCRZJMPDSRW-UHFFFAOYSA-N;methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate;27566-09-2;methyl 5-(2-(tert-butylamino)-1-hydroxyethyl)-2-hydroxybenzoate;(+/-)-Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate;Benzoic acid,5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxy-,methyl ester

Chemical Property of Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate

Chemical Property:

• Boiling Point: 416.7±45.0 °C(Predicted)
• Density: 1.153±0.06 g/cm3(Predicted)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 267.14705815
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)C(=O)OC)O

Technology Process of Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate

There total 5 articles about Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-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: 89.0%

C10H12O6 + tert-butylamine (75-64-9) → methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate (27566-09-2)

Guidance literature:

C₁₀H₁₂O₆; tert-butylamine; In water; at 30 ℃; for 3h;

With potassium borohydride; In water; at -5 - 15 ℃; for 2h;

Reference yield: 34.0%

5-{2-[(E)-tert-Butylimino]-acetyl}-2-hydroxy-benzoic acid methyl ester → methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate (27566-09-2)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1016/j.tetlet.2020.152126

Reference yield:

5-[2-(Benzyl-tert-butyl-amino)-acetyl]-2-hydroxy-benzoic acid methyl ester; hydrochloride → methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate (27566-09-2)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1021/jm00298a022

upstream raw materials:

tert-butylamine

estere metilico dell'acido 5-acetilsalicilico

α,α-dihydroxy-4-hydroxy-3-methoxycarbonyl-acetophenone

Downstream raw materials:

Salbutamol

5-(2-tert-Butylamino-1-hydroxy-ethyl)-2-hydroxy-benzoic acid hydrazide