2,2,2-Trifluoroethyl allyl ether

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl allyl ether
• CAS No.: 1524-54-5
• Molecular Formula: C5H7 F3 O
• Molecular Weight: 140.105
• Hs Code.: 2909199090
• European Community (EC) Number: 671-611-3
• DSSTox Substance ID: DTXSID70165014
• Nikkaji Number: J61.532C
• Wikidata: Q83034131
• Mol file: 1524-54-5.mol

Synonyms:2,2,2-trifluoroethyl allyl ether;TFAE

Chemical Property of 2,2,2-Trifluoroethyl allyl ether

Chemical Property:

• Vapor Pressure: 115mmHg at 25°C
• Boiling Point: 54-59
• Flash Point: 4.5°C
• PSA: 9.23000
• Density: 1.086g/cm³
• LogP: 1.75130
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 140.04489933
• Heavy Atom Count: 9
• Complexity: 86.7

Purity/Quality:

99%, ^*data from raw suppliers

Allyl2,2,2-TrifluoroethylEther ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 10
• Safety Statements: 16-23-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOCC(F)(F)F
• Uses: Allyl 2,2,2-Trifluoroethyl Ether is used to prepare analogs of cyclitols and sugars. It is also used to prepare heteroaryl substituted propan-2-ols as metalloenzyme inhibitors useful in treatment of metalloenzyme-mediated diseases.

Technology Process of 2,2,2-Trifluoroethyl allyl ether

There total 12 articles about 2,2,2-Trifluoroethyl allyl ether 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: 99.0%

2,2,2-trifluoroethanol (75-89-8) + allyl bromide (106-95-6) → 3-(2',2',2'-trifluoroethoxy)-prop-1-ene (1524-54-5)

Guidance literature:

2,2,2-trifluoroethanol; With potassium hydroxide; at 20 ℃; for 1h;

allyl bromide; In water; at 0 ℃;

DOI:10.1016/j.jfluchem.2005.01.005

Reference yield: 99.0%

2,2,2-trifluoroethanol (75-89-8) → 3-(2',2',2'-trifluoroethoxy)-prop-1-ene (1524-54-5)

Guidance literature:

With potassium hydroxide; In water; at 40 ℃; for 18h;

DOI:10.1021/ol0482902

Reference yield: 75.0%

sodium 2,2,2-trifluoroethanolate (420-87-1) + allyl bromide (106-95-6) → 3-(2',2',2'-trifluoroethoxy)-prop-1-ene (1524-54-5)

Guidance literature:

In dimethyl sulfoxide; at 10 - 20 ℃; for 12h;

DOI:10.1021/ja992794r

upstream raw materials:

2,2,2-trifluoroethanol

3-chloroprop-1-ene

allyl benzenesulfonate

allyl tosylate

Downstream raw materials:

dichloromethyl[3-(2,2,2-trifluoroethoxy)propyl]silane

(E)-5,5-Difluoro-3-hydroxy-1-phenyl-octa-1,7-dien-4-one

C₂₀H₁₆F₅N₃O₄

C₁₂H₁₃F₃N₂O₂

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