2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol

Base Information

• Chemical Name: 2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol
• CAS No.: 2092-87-7
• Molecular Formula: C₁₃H₈F₆O₂
• Molecular Weight: 310.196
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID10379370
• Wikidata: Q82169149
• ChEMBL ID: CHEMBL3911513
• Mol file: 2092-87-7.mol

Synonyms:2092-87-7;2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol;2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-ol;C13H8F6O2;SCHEMBL589730;CHEMBL3911513;DTXSID10379370;XUEIXZZGKCDNGZ-UHFFFAOYSA-N;MFCD06247736;AKOS015856309;2-(2-Hydroxyhexafluoroisopropyl)naphth-1-ol;CS-0449494;FT-0634033;J-013725;2-Naphthalenemethanol, 1-hydroxy-.alpha.,.alpha.-bis(trifluoromethyl)-

Chemical Property of 2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol

Chemical Property:

• Vapor Pressure: 0.00513mmHg at 25°C
• Melting Point: 119-120°C
• Refractive Index: 1.526
• Boiling Point: 266.8°C at 760 mmHg
• PKA: 8.32±0.50(Predicted)
• Flash Point: 115.2°C
• PSA: 40.46000
• Density: 1.532g/cm³
• LogP: 3.85760
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 310.04284847
• Heavy Atom Count: 21
• Complexity: 364

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C(C(F)(F)F)(C(F)(F)F)O

Technology Process of 2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol

There total 2 articles about 2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol 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: 60.0%

α-naphthol (90-15-3) + Hexafluoroacetone (684-16-2) → 2-(2-hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol (2092-87-7)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane; at 80 ℃; Reflux;

DOI:10.1039/c6md00277c

Reference yield:

→ 2-(2-hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol (2092-87-7)

Guidance literature:

1-Naphthol, Hexafluoraceton, TsOH;

upstream raw materials:

α-naphthol

Hexafluoroacetone

Refernces

• 1、 -. "Naphthalide indicator dyes". . . Retrieved 2008/06/13.