3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-

Base Information

• Chemical Name: 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-
• CAS No.: 102145-82-4
• Molecular Formula: C₆H₇F₃O₂
• Molecular Weight: 168.116
• Hs Code.: 2914700090
• Nikkaji Number: J1.026.866D,J385.519H
• Mol file: 102145-82-4.mol

Synonyms:3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-;(Z)-1,1,1-trifluoro-4-methoxypent-3-en-2-one;SCHEMBL2119371;XJNIYNVIHHABIV-ARJAWSKDSA-N;AKOS026729011;CS-0444018;(Z)-5,5,5-Trifluoro-2-methoxy-2-pentene-4-one

Chemical Property of 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-

Chemical Property:

• Vapor Pressure: 32mmHg at 25°C
• Boiling Point: 103.6°Cat760mmHg
• Flash Point: 17.1°C
• PSA: 26.30000
• Density: 1.193g/cm³
• LogP: 1.66800
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 168.03981395
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)C(F)(F)F)OC
• Isomeric SMILES: C/C(=C/C(=O)C(F)(F)F)/OC

Technology Process of 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy-

There total 5 articles about 3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- 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: 94.0%

2,2-dimethoxy-propane (77-76-9) + trifluoroacetic anhydride (407-25-0) → 1,1,1-trifluoro-4-methoxypent-3-en-2-one (135351-20-1,102145-82-4)

Guidance literature:

With pyridine; In chloroform; for 4h; Ambient temperature;

DOI:10.1055/s-1986-31852

Reference yield: 74.0%

trifluoracetyl chloride (354-32-5) + 2-Methoxypropene (116-11-0) → 1,1,1-trifluoro-4-methoxypent-3-en-2-one (135351-20-1,102145-82-4)

Guidance literature:

With pyridine; In diethyl ether; at -55 ℃; for 1h;

DOI:10.1007/BF02494832

Reference yield: 74.0%

2-Methoxypropene (116-11-0) + trifluoromethylsulfonic anhydride (358-23-6) → 1,1,1-trifluoro-4-methoxypent-3-en-2-one (135351-20-1,102145-82-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1007/BF02494832

upstream raw materials:

2,2-dimethoxy-propane

trifluoroacetic anhydride

trifluoracetyl chloride

2-Methoxypropene

Downstream raw materials:

(E)-1,1,1-Trifluoro-4-((Z)-3-phenyl-allyloxy)-pent-3-en-2-one

3-trifluoroacetyl-2-methylpyrrole

3-trifluoroacetyl-1,2-dimethylpyrrole

1-ethyl-3-trifluoroacetyl-2-methylpyrrole

Refernces

• 1、 Tarasenko, Karen V.,Manoylenko, Olga V.,Kukhar, Valery P.,R?schenthaler, Gerd-Volker,Gerus, Igor I.. "Synthesis of new polyhalogenoalkyl-containing phosphonates with an enaminone core and their use in the preparation of fluorinated heterocycles". . p. 4623 - 4626. Retrieved 2010.
• 2、 Tilley, Jefferson W.,Sidduri, Achyutharao,Lou, Jianping,Kaplan, Gerry,Tare, Nadine,Cavallo, Gary,Frank, Karl,Pamidimukkala, Anjula,Choi, Duk Soon,Gerber, Louise,Railkar, Aruna,Renzetti, Louis. "Identification of N-acyl 4-(3-pyridonyl)phenylalanine derivatives and their orally active prodrug esters as dual acting α4β1 and α4β7 receptor antagonists". . p. 1036 - 1040. Retrieved 2013.
• 3、 Edilova, Yu. O.,Kudyakova, Yu. S.,Slepukhin,Burgart, Ya. V.,Saloutin,Bazhin. "Influence of Trifluoromethyl Groups on the Crystal Packing of the Binuclear Copper(II) Complex Based on N2O3-Pentadentate (Hydroxy)bis(СF3-Enaminoketone)". . p. 631 - 637. Retrieved 2021/09/15.