3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-, (3Z)-

Base Information

• Chemical Name: 3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-, (3Z)-
• CAS No.: 453-33-8
• Molecular Formula: C₅H₅F₃O₂
• Molecular Weight: 154.089
• DSSTox Substance ID: DTXSID801273929
• Nikkaji Number: J1.715.639J,J2.242.611G
• Mol file: 453-33-8.mol

Synonyms:3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-, (3Z)-;5,5,5-trifluoro-4-hydroxy-3-penten-2-one;DTXSID801273929;453-33-8;1,1,1-Trifluoro-4-hydroxy-3-pentene-2-one;(Z)-1,1,1-Trifluoro-4-hydroxy-3-pentene-2-one;A823358;5,5,5-tris(fluoranyl)-4-oxidanyl-pent-3-en-2-one

Chemical Property of 3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-, (3Z)-

Chemical Property:

• PSA: 37.30000
• LogP: 1.57960
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 154.02416388
• Heavy Atom Count: 10
• Complexity: 168

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=C(C(F)(F)F)O

Technology Process of 3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-, (3Z)-

There total 1 articles about 3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-, (3Z)- 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:

ethyl trifluoroacetate, (383-63-1) + acetone (67-64-1) → 1,1,1-trifluoro-2,4-pentanedione enol (453-33-8)

Guidance literature:

ethyl trifluoroacetate,; acetone; With sodium methylate; In diethyl ether; at 20 ℃;

With hydrogenchloride; In diethyl ether; water; pH=3;

DOI:10.1002/anie.201301443

Reference yield: 74.0%

1,1,1-trifluoro-2,4-pentanedione enol (453-33-8) + α-bromoacetophenone (70-11-1) → 1-phenylpentane-1,4-dione (583-05-1)

Guidance literature:

With potassium carbonate; ethyl acetate; In water; for 8h; Schlenk technique; Heating;

DOI:10.1002/ejoc.201800680

Reference yield:

1,1,1-trifluoro-2,4-pentanedione enol (453-33-8) + 4-methoxy-benzaldehyde (123-11-5) → (1E,4Z)-6,6,6-Trifluoro-5-hydroxy-1-(4-methoxy-phenyl)-hexa-1,4-dien-3-one

Guidance literature:

1,1,1-trifluoro-2,4-pentanedione enol; With boron trioxide; In ethyl acetate; at 60 ℃; for 0.5h;

4-methoxy-benzaldehyde; With boric acid tributyl ester; In ethyl acetate; at 60 ℃; for 0.5h;

With N-butylamine; In ethyl acetate; for 14h; Reflux;

DOI:10.1039/c5ob02295a

upstream raw materials:

ethyl trifluoroacetate,

acetone

Downstream raw materials:

1-phenylpentane-1,4-dione

Refernces