3,5-Bis(trifluoromethyl)phenylsulfonylethanol

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)phenylsulfonylethanol
• CAS No.: 450409-87-7
• Molecular Formula: C₁₀H₈F₆O₃S
• Molecular Weight: 322.228
• European Community (EC) Number: 673-632-3
• DSSTox Substance ID: DTXSID00373509
• Nikkaji Number: J1.726.764G
• Wikidata: Q82161718
• Mol file: 450409-87-7.mol

Synonyms:3,5-Bis(trifluoromethyl)phenylsulfonylethanol;450409-87-7;2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol;2-(3,5-bis(trifluoromethyl)phenylsulfonyl)ethanol;2-[3,5-Bis(trifluoromethyl)phenylsulfonyl]ethanol;3,5-bis-(Trifluoromethyl)phenylsulfonylethanol;DTXSID00373509;AKOS037652995;FS-6259;2-[3,5-Bis(trifluoromethyl)benzene-1-sulfonyl]ethan-1-ol

Chemical Property of 3,5-Bis(trifluoromethyl)phenylsulfonylethanol

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 322.00983426
• Heavy Atom Count: 20
• Complexity: 400

Purity/Quality:

98%min ^*data from raw suppliers

3,5-BIS(TRIFLUOROMETHYL)PHENYLSULFONYLETHANOL 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)CCO)C(F)(F)F

Technology Process of 3,5-Bis(trifluoromethyl)phenylsulfonylethanol

There total 2 articles about 3,5-Bis(trifluoromethyl)phenylsulfonylethanol 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:

2-[3,5-di(trifluoromethyl)phenylsulfanyl]-1-ethanol (450409-97-9) → 2-[3,5-bis(trifluoromethyl)phenylsulfonyl]-1-ethanol (450409-87-7)

Guidance literature:

With manganese(II) sulfate; dihydrogen peroxide; sodium hydrogencarbonate; In water; acetonitrile; at 20 ℃; for 0.25h;

DOI:10.1016/S0040-4039(02)00598-1

Reference yield:

3,5-bis(trifluoromethyl)thiophenol (130783-02-7) → 2-[3,5-bis(trifluoromethyl)phenylsulfonyl]-1-ethanol (450409-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / Et₃N / acetonitrile / 24 h / 20 °C

2: MnSO₄; aq. H₂O₂; NaHCO₃ / acetonitrile / 20 °C

With manganese(II) sulfate; dihydrogen peroxide; sodium hydrogencarbonate; triethylamine; In acetonitrile;

DOI:10.1055/s-2003-36844

Reference yield:

2-aminopyridin-3-carboxylic acid (5345-47-1) + 2-[3,5-bis(trifluoromethyl)phenylsulfonyl]-1-ethanol (450409-87-7) → 2-[3,5-bis(trifluoromethyl)phenylsulfonyl]ethyl 2-aminonicotinate (548740-14-3)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1055/s-2003-36844

upstream raw materials:

2-[3,5-di(trifluoromethyl)phenylsulfanyl]-1-ethanol

3,5-bis(trifluoromethyl)thiophenol

Downstream raw materials:

2-[3,5-bis(trifluoromethyl)phenylsulfonyl]ethyl 2-aminonicotinate

2-[2-(4-cyanophenylcarbonyloxy)ethylsulfonyl]-3,5-di(trifluoromethyl)benzene

2-[3,5-bis(trifluoromethyl)phenylsulfonyl]ethyl (E)-3-phenyl-2-propenoate

2-[3,5-bis(trifluoromethyl)phenylsulfonyl]ethyl 2-(4-chloro-2-methylphenoxy)propanoate

Refernces

• 1、 Alonso, Diego A.,Nájera, Carmen,Varea, Montserrat. "Simple, economical and environmentally friendly sulfone synthesis". . p. 3459 - 3461. Retrieved 2007/10/03.