5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pent-1-ene

Base Information

• Chemical Name: 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pent-1-ene
• CAS No.: 14115-46-9
• Molecular Formula: C₆H₃F₉
• Molecular Weight: 246.075
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID20508891
• Wikidata: Q82366110
• Mol file: 14115-46-9.mol

Synonyms:5,5,5-trifluoro-4,4-bis(trifluoromethyl)pent-1-ene;3-(NONAFLUORO-TERT-BUTYL)PROP-1-ENE;DTXSID20508891;DTCUPMXWGWBRAB-UHFFFAOYSA-N;1-(perfluoro-t-butyl)-2-propene;A807737;5,5,5-trifluoro-4,4-bis(trifluoromethyl)-1-pentene;1-Pentene, 5,5,5-trifluoro-4,4-bis(trifluoromethyl)-;5,5,5-tris(fluoranyl)-4,4-bis(trifluoromethyl)pent-1-ene

Chemical Property of 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pent-1-ene

Chemical Property:

• Vapor Pressure: 421mmHg at 25°C
• Refractive Index: 1.2935
• Boiling Point: 55-56°C
• PSA: 0.00000
• Density: 1.473
• LogP: 3.84570
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 260.02475362
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

3-(NONAFLUORO-TERT-BUTYL)PROP-1-ENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F

Technology Process of 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pent-1-ene

There total 2 articles about 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pent-1-ene 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:

β-(Perfluor-tert-butyl)-ethyl-jodid (14115-45-8) → (Perfluor-tert.-butyl)-ethylen (14115-46-9)

Guidance literature:

With potassium hydroxide; In paraffin;

Reference yield:

→ (Perfluor-tert.-butyl)-ethylen (14115-46-9)

Guidance literature:

Octafluor-isobuten, CsF (Diglyme), Ethylenoxid (S.49);

DOI:10.1016/S0022-1139(00)82555-5

Reference yield:

(Perfluor-tert.-butyl)-ethylen (14115-46-9) → 3,3-bis-(trifluoromethyl)-4,4,4-trifluoro-1-butyne (14115-48-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / CH₂Cl₂ / Irradiation

2: KOH

With potassium hydroxide; bromine; In dichloromethane;

upstream raw materials:

β-(Perfluor-tert-butyl)-ethyl-jodid

Downstream raw materials:

3,3-bis-(trifluoromethyl)-4,4,4-trifluoro-1-butyne