4,4,4-Trifluoro-2-butynoic acid methyl ester

Base Information

Chemical Name:4,4,4-Trifluoro-2-butynoic acid methyl ester
CAS No.:70577-95-6
Molecular Formula:C5H3F3O2
Molecular Weight:152.073
Hs Code.:
European Community (EC) Number:850-143-5
Nikkaji Number:J850.879H
Mol file:70577-95-6.mol

Synonyms:70577-95-6;Methyl 4,4,4-trifluorobut-2-ynoate;4,4,4-Trifluoro-2-butynoic acid methyl ester;2-Butynoic acid, 4,4,4-trifluoro-, methyl ester;SCHEMBL5734444;methyl 3- trifluoromethylpropiolate;FT-0628598;D87640;EN300-736094

Suppliers and Price of 4,4,4-Trifluoro-2-butynoic acid methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4,4,4-Trifluoro-2-butynoicAcidMethylEster
2.5g
$ 1320.00

Medical Isotopes, Inc.
4,4,4-Trifluoro-2-butynoicAcidMethylEster
2.5 g
$ 2200.00

Total 6 raw suppliers

Chemical Property of 4,4,4-Trifluoro-2-butynoic acid methyl ester

Chemical Property:

Vapor Pressure:13mmHg at 25°C
Refractive Index:1.36
Boiling Point:124°C at 760 mmHg
Flash Point:32.4°C
PSA：26.30000
Density:1.237g/cm³
LogP:1.27790
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:152.00851382
Heavy Atom Count:10
Complexity:192

Purity/Quality:

98%min ^*data from raw suppliers

4,4,4-Trifluoro-2-butynoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s): R11:Highly flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Hazard Codes:R11:Highly flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Statements: R11:Highly flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Safety Statements: S16:Keep away from sources of ignition - No smoking.; S23:Do not inhale gas/fumes/vapour/spray.; S26:In case of co

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C#CC(F)(F)F
Uses 4,4,4-Trifluoro-2-butynoic Acid Methyl Ester, is a versatile intermediate in the synthesis of various Fluorinated pharmaceutical compounds. It can be used in the synthesis of Perfluromethylcoumarins, and also for the preparation of regioisomeric (trifluoromethyl)-isoxazolecarboxylate esters and oxime addition products.

Technology Process of 4,4,4-Trifluoro-2-butynoic acid methyl ester

There total 1 articles about 4,4,4-Trifluoro-2-butynoic acid methyl ester 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: 80.5%

: 83961-54-0
methyl 4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanoate

: 70577-95-6
methyl 4,4,4-trifluoro-2-butynoate

Guidance literature:: at 160 - 165 ℃; under 0.750075 Torr;
DOI:10.1002/chem.200501078

Reference yield: 93.0%

: 91-22-5
quinoline

: 873-73-4
4-n-chlorophenylacetylene

: 70577-95-6
methyl 4,4,4-trifluoro-2-butynoate

: methyl 3-(4-chlorobenzoyl)-1-(trifluoromethyl)pyrrolo[1,2-a]quinoline-2-carboxylate

Guidance literature:: quinoline; 4-n-chlorophenylacetylene; methyl 4,4,4-trifluoro-2-butynoate; With copper(l) iodide; In dichloromethane; at 20 ℃;

With dmap; copper(I) bromide; In dimethyl sulfoxide; at 100 - 120 ℃;