Hot Products

Basic Information

Post buying leads

Suppliers

Cas Database

Name	Ethyl 4,4,4-trifluoroacetoacetate	EINECS	206-750-7
CAS No.	372-31-6	Density	1.273 g/cm³
PSA	43.37000	LogP	1.07100
Solubility	10 g/L (20 °C) in water	Melting Point	-39 °C
Formula	C₆H₇F₃O₃	Boiling Point	129.5 °C at 760 mmHg
Molecular Weight	184.115	Flash Point	28.9 °C
Transport Information	UN 3272 3/PG 3	Appearance	Clear liquid
Safety	61-16	Risk Codes	10-22-52/53
Molecular Structure		Hazard Symbols	Xn, F, C, Xi
Synonyms	ethyl 4,4,4-trifluoro-3-oxo-butanoate;Ethyl trifluoroacetoacetate;Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester;Ethyl (trifluoroacetyl)acetate;Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester;4,4,4 trifluor-3-oxoethylester;ethyl-4,4,4-trifluoroaceto acetate;Ethyl 4,4,-Trifluoroacetoacetate;Ethyl 3-oxo-4,4,4-trifluoroacetoacetate;Trifluoroacetyl ethyl acetate;	Article Data	34

Ethyl 4,4,4-trifluoroacetoacetate Synthetic route

: 383-63-1
ethyl trifluoroacetate,

: 141-78-6
ethyl acetate

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

Conditions

Conditions	Yield
With sodium hydride In diethyl ether; paraffin reflux, 2 h and r.t., 12 h;	85%
Stage #1: ethyl acetate With sodium ethanolate at 0 - 5℃; for 1h; Stage #2: ethyl trifluoroacetate, at 0 - 65℃; for 25h;	70.7%
With diethyl ether; sodium ethanolate

: 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester

: 400-53-3
trimethylsilyl trifluoroacetate

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

Conditions

Conditions	Yield
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With n-butyllithium In tetrahydrofuran Stage #2: trimethylsilyl trifluoroacetate In tetrahydrofuran Stage #3: With hydrogenchloride In tetrahydrofuran Further stages.;	55%
With n-butyllithium 1.) THF, -78 deg C, 20 min, 2.) THF, RT, 5 h; Yield given. Multistep reaction;

: 459-72-3
ethyl 2-fluoroacetate

: 454-31-9
ethyl difluoroacetate

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

Conditions

Conditions	Yield
With sodium hydride

: 652-71-1
Trifluoracetyl-glyoxylsaeure-aethylester-α-hydrazon

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

Conditions

Conditions	Yield
With quinoline In ethanol

: 2707-65-5
3-acetoxy-4,4,4-trifluoro-but-2-enoic acid ethyl ester

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol

: 383-63-1
ethyl trifluoroacetate,

: 141-78-6
ethyl acetate

A: 197850-97-8
Aethyl-γ,γ,γ-trifluoracetoacetat-hydrat

B: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

Conditions

Conditions	Yield
With ethanol; sulfuric acid; sodium at 90℃; for 48h; Heating;
With sodium ethanolate In ethanol for 48h; Heating;

: 129657-54-1
3-tert-Butylperoxy-4,4,4-trifluoro-3-hydroxy-butyric acid ethyl ester

A: 75-91-2
tert.-butylhydroperoxide

B: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

Conditions

Conditions	Yield
In tetrachloromethane at 20℃; Equilibrium constant; Rate constant;

: 64-17-5
ethanol

: 693817-83-3
2,2-Dimethyl-5-(2,2,2-trifluoro-1-hydroxy-ethylidene)-[1,3]dioxane-4,6-dione

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

Conditions

Conditions	Yield
at 70℃; for 6h; Ring cleavage; Decarboxylation;

: 141-78-6
ethyl acetate

sodium compound of orthotrifluoroacetic acid diethyl ester: sodium compound of orthotrifluoroacetic acid diethyl ester

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

: 60-29-7
diethyl ether

: 383-63-1
ethyl trifluoroacetate,

sodium: sodium

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

Ethyl 4,4,4-trifluoroacetoacetate Chemical Properties

Molecular Structure of Ethyl 4,4,4-trifluoroacetoacetate (CAS NO.372-31-6):

IUPAC Name: Ethyl 4,4,4-trifluoro-3-oxobutanoate
Canonical SMILES: CCOC(=O)CC(=O)C(F)(F)F
InChI: InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKey: OCJKUQIPRNZDTK-UHFFFAOYSA-N
Molecular Weight: 184.11319 [g/mol]
Molecular Formula: C₆H₇F₃O₃
XLogP3: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 6
EINECS: 206-750-7
Storage temp.: Flammables area
Water Solubility: 10 g/L (20 °C)
Appearance: Clear liquid
Melting Point: -39 °C
Index of Refraction: 1.362
Molar Refractivity: 32.1 cm³
Molar Volume: 144.5 cm³
Surface Tension: 25.3 dyne/cm
Density: 1.273 g/cm³
Flash Point: 28.9 °C
Enthalpy of Vaporization: 36.72 kJ/mol
Boiling Point: 129.5 °C at 760 mmHg
Vapour Pressure: 10.1 mmHg at 25 °C
Product Categories: Pharmaceutical Intermediates; Aliphatics; Esters; Organic Fluorides; Fluorochemicals; Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry

Ethyl 4,4,4-trifluoroacetoacetate Uses

Ethyl 4,4,4-trifluoroacetoacetate (CAS NO.372-31-6) is used as intermediate for agro chemicals and pharmaceuticals (mefloquine).

Ethyl 4,4,4-trifluoroacetoacetate Safety Profile

Safety Information of Ethyl 4,4,4-trifluoroacetoacetate (CAS NO.372-31-6):
Hazard Codes: Harmful XnF Corrosive C, Irritant Xi
Risk Statements: 10-22-52/53
R10:Flammable.
R22:Harmful if swallowed.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61-16
S16:Keep away from sources of ignition.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3272 3/PG 3
WGK Germany: 2
Hazard Note: Flammable/Corrosive
TSCA: T
HazardClass: 3
PackingGroup: III

Ethyl 4,4,4-trifluoroacetoacetate Specification

Ethyl 4,4,4-trifluoroacetoacetate (CAS NO.372-31-6), its Synonyms are Ethyl trifluoroacetoacetate ; Ethyl (trifluoroacetyl)acetate ; Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester ; Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester .

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 372-31-6