1,1,1,3,3,3-Hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol

Base Information

• Chemical Name: 1,1,1,3,3,3-Hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol
• CAS No.: 65797-52-6
• Molecular Formula: C₁₂H₁₁F₆NO
• Molecular Weight: 299.216
• DSSTox Substance ID: DTXSID10545316
• Wikidata: Q82422765
• Mol file: 65797-52-6.mol

Synonyms:65797-52-6;1,1,1,3,3,3-Hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol;1,1,1,3,3,3-Hexafluoro-2-(1,2,3,4-tetrahydro-quinolin-6-yl)-propan-2-ol;SCHEMBL6490339;DTXSID10545316;AM807888;A849145;alpha,alpha-bis(trifluoromethyl)-1,2,3,4-tetrahydro-6-quinolinemethanol;6-Quinolinemethanol, 1,2,3,4-tetrahydro-.alpha.,.alpha.-bis(trifluoromethyl)-

Chemical Property of 1,1,1,3,3,3-Hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol

Chemical Property:

• PSA: 32.26000
• LogP: 3.49490
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 299.07448295
• Heavy Atom Count: 20
• Complexity: 339

Purity/Quality:

97% ^*data from raw suppliers

1,1,1,3,3,3-Hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC(=C2)C(C(F)(F)F)(C(F)(F)F)O)NC1

Technology Process of 1,1,1,3,3,3-Hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol

There total 6 articles about 1,1,1,3,3,3-Hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)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: 98.0%

1,2,3,4-tetrahydroisoquinoline (635-46-1) + 1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) → 1,1,1,3,3,3-hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol (65797-52-6)

Guidance literature:

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

DOI:10.1021/acs.orglett.8b03666

Reference yield: 78.0%

1,2,3,4-tetrahydroisoquinoline (635-46-1) + Hexafluoroacetone (684-16-2) → 1,1,1,3,3,3-hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol (65797-52-6)

Guidance literature:

Reference yield:

1,2,3,4-tetrahydroisoquinoline (635-46-1) + pyrographite (7440-44-0) + Hexafluoroacetone (684-16-2) → 1,1,1,3,3,3-hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol (65797-52-6)

Guidance literature:

aluminium trichloride; In dichloromethane; n-Butyl chloride;

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

Hexafluoroacetone

pyrographite

2-(1-acetoacetyl-1,2,3,4-tetrahydro-quinolin-6-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol