3-Buten-2-one, 4-(dimethylamino)-1,1,1-trifluoro-, (3E)-

Base Information

• Chemical Name: 3-Buten-2-one, 4-(dimethylamino)-1,1,1-trifluoro-, (3E)-
• CAS No.: 127223-93-2
• Molecular Formula: C6H8F3NO
• Molecular Weight: 167.12900
• Hs Code.: 2922390090
• DSSTox Substance ID: DTXSID60381443
• Mol file: 127223-93-2.mol

Synonyms:3-Buten-2-one, 4-(dimethylamino)-1,1,1-trifluoro-, (3E)-;DTXSID60381443;OPFMBYIQGSJDOB-UHFFFAOYSA-N;AKOS026726904;FT-0770863;4-dimethylamino-1,1,1-trifluoro-3-buten-2-one;4-dimethylamino-1,1,1-trifluoro-but-3-en-2-one

Chemical Property of 3-Buten-2-one, 4-(dimethylamino)-1,1,1-trifluoro-, (3E)-

Chemical Property:

• Boiling Point: 103.4±40.0 °C(Predicted)
• PKA: 3.43±0.70(Predicted)
• PSA: 20.31000
• Density: 1.177±0.06 g/cm3(Predicted)
• LogP: 1.19310
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 167.05579836
• Heavy Atom Count: 11
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

(3E)-4-(Dimethylamino)-1,1,1-trifluorobut-3-en-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Buten-2-one, 4-(dimethylamino)-1,1,1-trifluoro-, (3E)-

There total 7 articles about 3-Buten-2-one, 4-(dimethylamino)-1,1,1-trifluoro-, (3E)- 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: 96.0%

(E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (59938-06-6) + dimethyl amine (124-40-3) → (E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one (127223-93-2)

Guidance literature:

In water; acetonitrile; Ambient temperature;

DOI:10.1016/S0040-4039(01)93334-9

Reference yield: 85.0%

4-amino-1,1,1-trifluoro-3-buten-2-one (120417-45-0,184848-89-3) + dimethyl amine (124-40-3) → (E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one (127223-93-2)

Guidance literature:

In water; acetonitrile; for 0.00833333h; Ambient temperature;

DOI:10.1016/S0040-4039(01)93334-9

Reference yield: 75.0%

dimethyl amine (124-40-3) + ethyl vinyl ether (109-92-2,25104-37-4) + trifluoroacetic anhydride (407-25-0) → (E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one (127223-93-2)

Guidance literature:

ethyl vinyl ether; trifluoroacetic anhydride; With pyridine; In dichloromethane; at 0 ℃;

dimethyl amine; In water; at 0 ℃;

DOI:10.1002/ejoc.202100567

upstream raw materials:

(E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

dimethyl amine

4-amino-1,1,1-trifluoro-3-buten-2-one

ethyl vinyl ether

Downstream raw materials:

(E)-1,1,1-trifluoro-4-phenyl-3-buten-2-one

(E)-6-Phenyl-1,1,1-Trifluoro-3-hexen-5-yn-2-one

(E)-1,1,1-trifluoro-4-(3-methoxyphenyl)but-3-en-2-one

1,1,1-trifluoro-4-(2,5-dimethoxyphenyl)but-3-en-2-one