1,1,1,3,3,3-Hexafluoro-2-(4-(methylamino)phenyl)propan-2-OL

Base Information

• Chemical Name: 1,1,1,3,3,3-Hexafluoro-2-(4-(methylamino)phenyl)propan-2-OL
• CAS No.: 1481-11-4
• Molecular Formula: C10H9F6NO
• Molecular Weight: 273.178
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID50355537
• Wikidata: Q82134504
• Mol file: 1481-11-4.mol

Synonyms:1481-11-4;1,1,1,3,3,3-HEXAFLUORO-2-(4-(METHYLAMINO)PHENYL)PROPAN-2-OL;1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]propan-2-ol;Benzenemethanol, 4-(methylamino)-alpha,alpha-bis(trifluoromethyl)-;N-methyl-4-(hexafluoro-2-hydroxy-2-propyl)aniline;SCHEMBL6487024;DTXSID50355537;HMS1589E19;AM807776;p-(hexafluoro-2-hydroxy-2-propyl)-N-methylaniline;SR-01000251661;4-(hexafluoro-2-hydroxy-2-propyl)-N-methyl aniline;SR-01000251661-1;1,1,1,3,3,3-Hexafluoro-2-(4-methylamino-phenyl)-propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(methylamino)phenyl]-2-propanol;Benzenemethanol, 4-(methylamino)-.alpha.,.alpha.-bis(trifluoromethyl)-

Chemical Property of 1,1,1,3,3,3-Hexafluoro-2-(4-(methylamino)phenyl)propan-2-OL

Chemical Property:

• PSA: 32.26000
• LogP: 3.11350
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 273.05883288
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

97% ^*data from raw suppliers

1,1,1,3,3,3-Hexafluoro-2-(4-(methylamino)phenyl)propan-2-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O

Technology Process of 1,1,1,3,3,3-Hexafluoro-2-(4-(methylamino)phenyl)propan-2-OL

There total 8 articles about 1,1,1,3,3,3-Hexafluoro-2-(4-(methylamino)phenyl)propan-2-OL 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: 85.0%

Hexafluoroacetone (684-16-2) + N-methylaniline (100-61-8) → N-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]aniline (1481-11-4)

Guidance literature:

Reference yield: 85.0%

1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) + N-methylaniline (100-61-8) → N-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]aniline (1481-11-4)

Guidance literature:

With piperidin-1-yl benzoate; copper(II) acetate tetrahydrate; at 70 ℃; for 5h;

DOI:10.1021/acs.orglett.8b03666

Reference yield: 62.0%

1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) + N-methylaniline (100-61-8) → 4,4'-methylenebis(N-methylaniline) (1807-55-2) + N-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]aniline (1481-11-4)

Guidance literature:

With [2,2]bipyridinyl; oxygen; copper(II) bis(trifluoromethanesulfonate); sodium carbonate; at 50 ℃; for 0.5h; under 760.051 Torr; regiospecific reaction; Schlenk technique; Green chemistry;

DOI:10.1002/adsc.202001048

upstream raw materials:

Hexafluoroacetone

N-methylaniline

N-allyl-N-methylaniline

4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-N-allyl-N-methylaniline

Downstream raw materials:

C₁₇H₁₂F₆INO₂

C₁₉H₁₇F₆NO₃

C₂₄H₂₅F₆NO₄

C₁₈H₁₅F₆NO₂