Methanesulfonic acid, trifluoro-, 2-(2-methylpropyl)phenyl ester

Base Information

• Chemical Name: Methanesulfonic acid, trifluoro-, 2-(2-methylpropyl)phenyl ester
• CAS No.: 675855-59-1
• Molecular Formula: C11H13F3O3S
• Molecular Weight: 282.284
• DSSTox Substance ID: DTXSID50474797
• Nikkaji Number: J2.001.371K
• Mol file: 675855-59-1.mol

Synonyms:675855-59-1;Methanesulfonic acid, trifluoro-, 2-(2-methylpropyl)phenyl ester;SCHEMBL5559026;DTXSID50474797;RVUQGBXAESRIRD-UHFFFAOYSA-N;Trifluoromethanesulfonic acid 2-isobutylphenyl ester

Chemical Property of Methanesulfonic acid, trifluoro-, 2-(2-methylpropyl)phenyl ester

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 282.05374993
• Heavy Atom Count: 18
• Complexity: 357

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=CC=C1OS(=O)(=O)C(F)(F)F

Technology Process of Methanesulfonic acid, trifluoro-, 2-(2-methylpropyl)phenyl ester

There total 3 articles about Methanesulfonic acid, trifluoro-, 2-(2-methylpropyl)phenyl 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: 76.0%

trifluoromethylsulfonic anhydride (358-23-6) + 2-isobutylphenol (4167-75-3) → 2-(2-methylpropyl)phenyl trifluoromethanesulfonate (675855-59-1)

Guidance literature:

With pyridine; at 20 ℃;

DOI:10.1016/j.tet.2003.11.085

Reference yield:

2-(methoxymethyl)phenol (5635-98-3) → 2-(2-methylpropyl)phenyl trifluoromethanesulfonate (675855-59-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: NaH / tetrahydrofuran / 4 h / 20 °C

1.2: 77 percent / tetrahydrofuran / 20 °C

2.1: Li; naphthalene / tetrahydrofuran / 1.2 h / 0 °C

2.2: tetrahydrofuran / 0.5 h / 0 °C

3.1: HCl / methanol / 20 °C

4.1: 76 percent / pyridine / 20 °C

With pyridine; hydrogenchloride; naphthalene; lithium; sodium hydride; In tetrahydrofuran; methanol;

DOI:10.1016/j.tet.2003.11.085

Reference yield:

1-ethoxymethoxy-2-methoxymethylbenzene (675855-48-8) → 2-(2-methylpropyl)phenyl trifluoromethanesulfonate (675855-59-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Li; naphthalene / tetrahydrofuran / 1.2 h / 0 °C

1.2: tetrahydrofuran / 0.5 h / 0 °C

2.1: HCl / methanol / 20 °C

3.1: 76 percent / pyridine / 20 °C

With pyridine; hydrogenchloride; naphthalene; lithium; In tetrahydrofuran; methanol;

DOI:10.1016/j.tet.2003.11.085

upstream raw materials:

trifluoromethylsulfonic anhydride

2-isobutylphenol

2-(methoxymethyl)phenol

1-ethoxymethoxy-2-methoxymethylbenzene