3-(3-(Trifluoromethoxy)phenyl)propan-1-ol

Base Information

• Chemical Name: 3-(3-(Trifluoromethoxy)phenyl)propan-1-ol
• CAS No.: 1057671-55-2
• Molecular Formula: C₁₀H₁₁F₃O₂
• Molecular Weight: 220.191
• DSSTox Substance ID: DTXSID901294934
• Mol file: 1057671-55-2.mol

Synonyms:3-(3-(trifluoromethoxy)phenyl)propan-1-ol;1057671-55-2;3-[3-(TRIFLUOROMETHOXY)PHENYL]PROPAN-1-OL;3-(3-TRIFLUOROMETHOXY-PHENYL)-PROPAN-1-OL;SCHEMBL79435;DTXSID901294934;3-(Trifluoromethoxy)benzenepropanol;AKOS013839328;3-(3-trifluoromethoxyphenyl)-1-propanol;CS-0365578;C77739;A1-18064

Chemical Property of 3-(3-(Trifluoromethoxy)phenyl)propan-1-ol

Chemical Property:

• Boiling Point: 245.9±35.0 °C(Predicted)
• Density: 1.246±0.06 g/cm3(Predicted)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 220.07111408
• Heavy Atom Count: 15
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

3-(3-(Trifluoromethoxy)phenyl)propan-1-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CCCO

Technology Process of 3-(3-(Trifluoromethoxy)phenyl)propan-1-ol

There total 2 articles about 3-(3-(Trifluoromethoxy)phenyl)propan-1-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: 85.2%

3-(3-(trifluoromethoxy)phenyl)prop-2-yn-1-ol (1093173-10-4) → 3-(3-(trifluoromethoxy)phenyl)propan-1-ol (1057671-55-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 3h;

Reference yield:

1-iodo-3-(trifluoromethoxy)benzene (198206-33-6) → 3-(3-(trifluoromethoxy)phenyl)propan-1-ol (1057671-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1: morpholine; copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride / toluene / 80 °C / Inert atmosphere

2: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 °C

With morpholine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; lithium aluminium tetrahydride; In tetrahydrofuran; toluene;

Reference yield:

3-(3-(trifluoromethoxy)phenyl)propan-1-ol (1057671-55-2) → 1-(3-bromopropyl)-3-trifluoromethoxybenzene (1057678-65-5)

Guidance literature:

With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 20 ℃; for 4h; Ice-cooling;

upstream raw materials:

3-(3-(trifluoromethoxy)phenyl)prop-2-yn-1-ol

1-iodo-3-(trifluoromethoxy)benzene

Downstream raw materials:

1-(3-bromopropyl)-3-trifluoromethoxybenzene

Refernces

• 1、 -. "AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF". Page/Page column 126. . Retrieved 2010/04/25.