Diethyl fluoromalonate supplier

Name
Diethyl fluoromalonate
EINECS 211-684-7
CAS No. 685-88-1
Article Data44
CAS DataBase
Density 1.136 g/cm³
Solubility
Melting Point
Formula C₇H₁₁FO₄
Boiling Point 222.3 °C at 760 mmHg
Molecular Weight 178.16
Flash Point 62.2 °C
Transport Information UN 3265 8/PG 2
Appearance Clear colourless to pale yellow liquid
Safety 26-36/37/39-45-25-27
Risk Codes 34
Molecular Structure
Hazard Symbols C, T
Synonyms Malonicacid, fluoro-, diethyl ester (6CI,7CI,8CI);Propanedioic acid, fluoro-, diethylester (9CI);Diethyl 2-fluoromalonate;
PSA 52.60000
LogP 0.45070

Synthetic route

: 392-58-5
Diethyl fluoroxaloacetate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
at 500℃; under 18751.9 - 22502.3 Torr; Temperature; Pressure;	95.2%
at 220℃;
at 230 - 235℃;

: 14064-10-9
diethyl 2-chloromalonate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With triethylamine tris(hydrogen fluoride); trimethylamine at 80 - 110℃; for 17h;	94%
With triethylamine tris(hydrogen fluoride); triethylamine at 80 - 110℃; for 17h; Heating / reflux;	84%
With potassium fluoride

: 105-53-3
diethyl malonate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With copper nitrate hemi(pentahydrate); fluorine In acetonitrile at 0 - 5℃; for 2h; Time; Temperature; Concentration; Green chemistry;	94%
With triethylamine pentahydrogen fluoride salt; iodosylbenzene In 1,2-dichloro-ethane at 70℃; for 24h; Reagent/catalyst; Concentration;	85%
With fluorine; copper(II) nitrate In acetonitrile at 5 - 8℃; for 4h;	78%

: 171916-50-0
2-(Diethoxy-phosphoryl)-2-fluoro-malonic acid diethyl ester

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With water; silica gel In ethyl acetate at 20℃; for 16h; dephosphonylation;	89%
Stage #1: With magnesium chloride In toluene at 20℃; for 2h; Disproportionation; Stage #2: 2-(Diethoxy-phosphoryl)-2-fluoro-malonic acid diethyl ester With ammonium chloride In toluene at 20℃; for 6h; Disproportionation;	86%

: 5256-74-6
1,3-diethyl 2-diazopropanedioate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With hydrogen fluoride In neat (no solvent) at 0℃; for 5h; Inert atmosphere;	84%

cupric nitrate 3H2O: cupric nitrate 3H2O

: 98-08-8
α,α,α-trifluorotoluene

: 105-53-3
diethyl malonate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
In acetonitrile	78%

...Expand

: 996-82-7
sodium diethylmalonate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With 1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate In tetrahydrofuran at 0℃; for 0.1h;	73%
With xenon difluoride; dimethylsulfide; boron trifluoride diethyl etherate In dichloromethane at -78℃;	42%

: 996-82-7
sodium diethylmalonate

A: 685-88-1
fluoromalonic acid diethyl ester

B: 680-65-9
diethyl 2,2-difluoromalonate

Conditions

Conditions	Yield
With 1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate In tetrahydrofuran at 0℃; for 0.1h;	A 73% B n/a
With perchloryl fluoride In tetrahydrofuran at 0℃; for 0.583333h;	A 84 % Spectr. B 16 % Spectr.

: 459-72-3
ethyl 2-fluoroacetate

: 105-58-8
Diethyl carbonate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With potassium ethoxide for 2h; Reflux;	65.5%

: 64-17-5
ethanol

: 433-68-1
perfluoroacrylic acid

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With triethylamine Heating; var. reag.: LiOH, NaOEt;	65%

: 399-92-8
2,3,3,3-tetrafluoropropionic acid ethyl ester

: 141-52-6
sodium ethanolate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
In methanol 1.) 0 deg C, 2.) room temperature, 30 min;	63%

: 77778-67-7
3,3,3-Triethoxy-2-fluoro-propionic acid ethyl ester

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With hydrogenchloride In ethanol for 1h; Ambient temperature;	63%
With ethanolate Yield given;

: 399-92-8
2,3,3,3-tetrafluoropropionic acid ethyl ester

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
Stage #1: 2,3,3,3-tetrafluoropropionic acid ethyl ester With sodium ethanolate In ethanol at 20 - 30℃; for 0.5h; Stage #2: With hydrogenchloride In methanol at 20℃;	63%
Multi-step reaction with 2 steps 1: ethanol / 0.5 h / Ambient temperature 2: 63 percent / conc. HCl / ethanol / 1 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: EtO- 2: EtO- View Scheme
With sulfuric acid; sodium ethanolate In ethanol

: 17906-37-5
ethoxycarbonylketene ethyltrimethylsilyl acetal

A: 685-88-1
fluoromalonic acid diethyl ester

B: 680-65-9
diethyl 2,2-difluoromalonate

Conditions

Conditions	Yield
With fluorine In trichlorofluoromethane at -78℃;	A 59% B n/a

: 459-72-3
ethyl 2-fluoroacetate

: 541-41-3
chloroformic acid ethyl ester

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
In tetrahydrofuran	22%
(i) NaH, Et2O, (ii) /BRN= 385653/; Multistep reaction;
With sodium methylate In Petroleum ether for 1h; Heating;

: 570-08-1
diethyl acetylmalonate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With perchloryl fluoride; ethanol; sodium ethanolate

: 21633-79-4
Butyrylmalonsaeure-diethylester

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With perchloryl fluoride; ethanol; sodium ethanolate

: 685-87-0
Diethyl 2-bromomalonate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With potassium fluoride at 190℃;

: 64-17-5
ethanol

: 40623-35-6, 40623-36-7, 120201-74-3
7-chloro-7-fluoro-2,5-dioxabicyclo<4.1.0>heptane

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With Oxone; sulfuric acid 1.) reflux, 7 d, 2.) RT, 16 h; Yield given. Multistep reaction;

: 431-32-3
2,3,3,3-tetrafluoropropionitrile

: 141-52-6
sodium ethanolate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With hydrogenchloride 1.) EtOH, r.t., 30 min, 2.) EtOH, r.t., 30 min; Multistep reaction;

: 401-55-8
ethyl bromofluoroacetate

: 541-41-3
chloroformic acid ethyl ester

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: (Bis-ethoxycarbonyl-fluoro-methyl)-tributyl-phosphonium; chloride

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With sodium hydrogencarbonate In tetrahydrofuran; water for 6h; Ambient temperature; Yield given;

: 105-53-3
diethyl malonate

A: 685-88-1
fluoromalonic acid diethyl ester

B: 680-65-9
diethyl 2,2-difluoromalonate

Conditions

Conditions	Yield
With sodium hydride; fluorine In acetonitrile 1.) r.t., 1 h, 2.) -15 deg C, 1 h; Title compound not separated from byproducts;	A 37 % Spectr. B 23 % Spectr.
With aluminium trichloride; 1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate In 1,2-dichloro-ethane at 80℃; for 24h;	A 19 % Spectr. B 76 % Spectr.
With sodium hydride; fluorine In acetonitrile 1.) r.t., 1 h, 2.) -15 deg C, 1 h; Title compound not separated from byproducts;	A 14 % Spectr. B 37 % Spectr.

: 541-41-3
chloroformic acid ethyl ester

fluoroacetic acid ethyl ester, sodium-compound: fluoroacetic acid ethyl ester, sodium-compound

A: 685-88-1
fluoromalonic acid diethyl ester

B: 664-38-0
fluoro-fluoroacetyl-malonic acid diethyl ester

Conditions

Conditions	Yield
With Petroleum ether

...Expand

: 541-41-3
chloroformic acid ethyl ester

sodium-compound of fluoroacetic acid ethyl ester: sodium-compound of fluoroacetic acid ethyl ester

A: 685-88-1
fluoromalonic acid diethyl ester

B 2-fluoro-2-fluoroacetyl-malonic acid diethyl ester: 2-fluoro-2-fluoroacetyl-malonic acid diethyl ester

Conditions

Conditions	Yield
With Petroleum ether
With diethyl ether

...Expand

: 380-34-7
1,1,2,3,3,3-hexafluoropropyl ethyl ether

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 82 percent / conc. sulfuric acid / 1 h / Ambient temperature 2: ethanol / 0.5 h / Ambient temperature 3: 63 percent / conc. HCl / ethanol / 1 h / Ambient temperature View Scheme
Multi-step reaction with 3 steps 1: H+ 2: EtO- 3: EtO- View Scheme
Multi-step reaction with 2 steps 1: conc. sulfuric acid / 1 h / Ambient temperature 2: 63 percent / methanol / 1.) 0 deg C, 2.) room temperature, 30 min View Scheme
Multi-step reaction with 2 steps 1.1: sulfuric acid / 20 - 30 °C 2.1: sodium ethanolate / ethanol / 0.5 h / 20 - 30 °C 2.2: 20 °C View Scheme

: copper(II) nitrate

: 105-53-3
diethyl malonate

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With fluorine In acetonitrile

: 530-62-1
1,1'-carbonyldiimidazole

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
In N-methyl-acetamide; dichloromethane

: 7722-86-3
caro's acid

: 120131-05-7
fluoromalonaldehyde bis(diethyl acetal)

: 685-88-1
fluoromalonic acid diethyl ester

Conditions

Conditions	Yield
With ammonium persulfate; sulfuric acid In ethanol; water

: 685-88-1
fluoromalonic acid diethyl ester

: 1354044-23-7
1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazole-3-carboximidamide

: 1446359-42-7
5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)-6-hydroxypyrimidin-4(3H)-one

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In ethanol at 70℃; for 24h;	100%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In ethanol at 70℃; for 24h;	100%

: 685-88-1
fluoromalonic acid diethyl ester

: sodium fluoromalonate

Conditions

Conditions	Yield
With water; sodium hydroxide In ethanol at 60℃; for 0.75h;	100%

: 685-88-1
fluoromalonic acid diethyl ester

: potassium 3-ethoxy-2-fluoro-3-oxopropanoate

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃;	100%

: 685-88-1
fluoromalonic acid diethyl ester

: 473-87-0
2-fluoromalonic acid

Conditions

Conditions	Yield
With water; lithium hydroxide In methanol at 20℃; for 16h; air;	99%
With water; sodium hydroxide In ethanol at 60℃; for 2h;	98%
Stage #1: fluoromalonic acid diethyl ester With water; lithium hydroxide In ethanol at 25 - 50℃; for 16h; Stage #2: With hydrogenchloride In tert-butyl methyl ether; water pH=1;	88%

: 685-88-1
fluoromalonic acid diethyl ester

: (4R,4S)-4-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-ylamine hydrochloride

: (2R,2S)-7-fluoro-8-hydroxy-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one

Conditions

Conditions	Yield
With sodium methylate In methanol for 3h;	99%

: 685-88-1
fluoromalonic acid diethyl ester

: 4,4,4-trifluoro-1-(4‘-nitrophenyl)but-2-en-1-one

: (S)-diethyl 2-fluoro-2-(1,1,1-trifluoro-4-(4-nitrophenyl)-4-oxobutan-2-yl)malonate

Conditions

Conditions	Yield
With potassium phosphate; N-((S)-1-(((S)-1-(diphenylphosphanyl)-3-ethylpentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)-3,5-bis(trifluoromethyl)benzamide; acrylic acid methyl ester In toluene at -20℃; for 24h; Michael Addition; enantioselective reaction;	99%

: 685-88-1
fluoromalonic acid diethyl ester

: 15567-09-6
N-butylammonium bromide

: ethyl α-(N-butyl)carbamoylfluoroacetate

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane at 20℃; for 12h;	99%

: 685-88-1
fluoromalonic acid diethyl ester

: (SS)-2-methyl-N-(2,2,2-trifluoroethylidene)-propane-2-sulfinamide

: 1372420-76-2
(S)-diethyl 2-[(S)-1-(tert-butanesulfinamido)-2,2,2-trifluoroethyl]-2-fluoromalonate

Conditions

Conditions	Yield
Stage #1: fluoromalonic acid diethyl ester With 1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene) In toluene at -78℃; for 0.166667h; Mannich reaction; Inert atmosphere; Stage #2: (SS)-2-methyl-N-(2,2,2-trifluoroethylidene)-propane-2-sulfinamide In toluene at -78℃; for 24h; Mannich reaction; Inert atmosphere; optical yield given as %de; diastereoselective reaction;	98%
Stage #1: fluoromalonic acid diethyl ester With C13H36N6P2 In toluene at -78℃; for 0.166667h; Mannich Aminomethylation; Inert atmosphere; Stage #2: (SS)-2-methyl-N-(2,2,2-trifluoroethylidene)-propane-2-sulfinamide In toluene at -78℃; for 24h; Mannich Aminomethylation; Inert atmosphere; stereoselective reaction;	98%

: 691-60-1
N-isopropylurea

: 685-88-1
fluoromalonic acid diethyl ester

: 5-fluoro-1-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione

Conditions

Conditions	Yield
With sodium methylate In methanol at 85℃; for 4h;	98%
With sodium methylate In methanol at 85℃; for 4h;	98%

: 685-88-1
fluoromalonic acid diethyl ester

: 57-13-6
urea

: 767-80-6
5-fluorobarbituric acid

Conditions

Conditions	Yield
With sodium ethanolate In ethanol	97%
Stage #1: urea With sodium In ethanol Reflux; Stage #2: fluoromalonic acid diethyl ester In ethanol for 1.16667h; Reflux;	51%
With sodium methylate

: 685-88-1
fluoromalonic acid diethyl ester

: 815-59-8
2-fluoropropanediamide

Conditions

Conditions	Yield
With ammonia In methanol at 20℃; Inert atmosphere;	97%
With ammonia In methanol Ambient temperature;	94%
With ammonium hydroxide

: 685-88-1
fluoromalonic acid diethyl ester

: 196877-76-6
3-(4-methoxyphenyl)-5-(bromomethyl)isoxazole

: 1204423-81-3
C18H20FNO6

Conditions

Conditions	Yield
Stage #1: fluoromalonic acid diethyl ester With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 5-(bromomethyl)-3-(4-methoxyphenyl)isoxazole In N,N-dimethyl-formamide at 20℃; for 1h;	97%

: 685-88-1
fluoromalonic acid diethyl ester

: 1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazole-3-carboximidamide hydrochloride

: 5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidine-4,6-diol

Conditions

Conditions	Yield
With sodium methylate In methanol at 20 - 35℃; for 0.5h;	97%

: 32889-11-5
2-chloro-N-(quinolin-8-yl)acetamide

: 685-88-1
fluoromalonic acid diethyl ester

: 536-74-3
phenylacetylene

: C26H25FN2O5

Conditions

Conditions	Yield
With copper(l) iodide; caesium carbonate In tetrahydrofuran at 80℃; for 1.5h; Sonogashira Cross-Coupling; Inert atmosphere; Sealed tube;	96%

...Expand

: 32889-11-5
2-chloro-N-(quinolin-8-yl)acetamide

: 685-88-1
fluoromalonic acid diethyl ester

: 536-74-3
phenylacetylene

: (E)-diethyl 2-fluoro-2-(4-oxo-1-phenyl-4-(quinolin-8-ylamino)but-1-en-2-yl)malonate

Conditions

Conditions	Yield
With copper(l) iodide; caesium carbonate In tetrahydrofuran at 80℃; for 1.5h; Inert atmosphere; stereoselective reaction;	96%

...Expand

: 3587-60-8
Benzyloxymethyl chloride

: 685-88-1
fluoromalonic acid diethyl ester

: 133384-77-7
2-fluoro-2-benzyloxymethylmalonic acid diethyl ester

Conditions

Conditions	Yield
Stage #1: fluoromalonic acid diethyl ester With sodium hydride In tetrahydrofuran at -10 - -5℃; Stage #2: Benzyloxymethyl chloride In tetrahydrofuran at -10 - -5℃;	95%
With sodium hydride In N,N-dimethyl-formamide for 1.5h; Ambient temperature;	75%
In tetrahydrofuran; mineral oil

: 685-88-1
fluoromalonic acid diethyl ester

: 765-30-0
Cyclopropylamine

: ethyl α-(N-cyclopropyl)carbamoylfluoroacetate

Conditions

Conditions	Yield
at 20℃; for 16h;	95%

: 685-88-1
fluoromalonic acid diethyl ester

: 479423-46-6
(1-furan-2-ylmethylidene)carbamic acid tert-butyl ester

: 1236293-01-8
diethyl 2-[(tert-butoxycarbonylamino)(furan-2-yl)methyl]-2-fluoromalonate

Conditions

Conditions	Yield
Stage #1: fluoromalonic acid diethyl ester With 1-{3,5-bis(trifluoromethyl)phenyl}-3-{(1R,2R)-2-(dimethylamino)cyclohexyl}thiourea In toluene at 20℃; for 0.0833333h; Mannich reaction; Stage #2: (1-furan-2-ylmethylidene)carbamic acid tert-butyl ester In toluene at -78℃; for 96h; Mannich reaction; optical yield given as %ee; enantioselective reaction;	94%

: 685-88-1
fluoromalonic acid diethyl ester

: 88497-68-1
morpholinylguanidine hydrogen sulphate

: 944401-89-2
5-fluoro-2-(morpholin-4-yl)pyrimidine-4,6-diol

Conditions

Conditions	Yield
With sodium In ethanol for 12h; Reflux;	94%
Stage #1: fluoromalonic acid diethyl ester; morpholinylguanidine hydrogen sulphate With ethanol; sodium for 12.1667h; Reflux; Stage #2: With hydrogenchloride In water at 10℃; pH=4;	94%

: 685-88-1
fluoromalonic acid diethyl ester

: 102-96-5
(2-nitroethenyl)benzene

: (S)-diethyl 2-fluoro-2-(2-nitro-1-phenylethyl)malonate

Conditions

Conditions	Yield
With C37H31F6N3O In dichloromethane at 20℃; for 48h; Michael reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	93%
With C35H31F17N4OS In toluene at 25℃; for 24h; Michael Addition;

: 685-88-1
fluoromalonic acid diethyl ester

: 57-13-6
urea

: 767-80-6
5-fluoropyrimidine-2,4,6-triol

Conditions

Conditions	Yield
Stage #1: fluoromalonic acid diethyl ester; urea With sodium ethanolate In ethanol for 60h; Reflux; Stage #2: With hydrogenchloride In water pH=2; Heating;	93%
Stage #1: fluoromalonic acid diethyl ester; urea With sodium acetate In ethanol for 60h; Reflux; Stage #2: With hydrogenchloride In water pH=2;	93%
With sodium ethanolate In ethanol at 90℃;	1.24 g

: 685-88-1
fluoromalonic acid diethyl ester

: benzhydrilium tetrafluoroborate

: diethyl 2-(bis(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methyl)-2-fluoromalonate

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide at 20℃; Inert atmosphere;	92%

: 685-88-1
fluoromalonic acid diethyl ester

: C10H15N3O2

: C13H14FN3O4

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 70℃; for 7h; Temperature; Sealed tube; Inert atmosphere;	90.5%

: 685-88-1
fluoromalonic acid diethyl ester

: 100-51-6
benzyl alcohol

: 133384-81-3
dibenzyl 2-fluoromalonate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene Heating;	90%

: 685-88-1
fluoromalonic acid diethyl ester

: 150884-50-7
benzaldehyde N-boc imine

A: 1236292-94-6
(R)-diethyl 2-(((tert-butoxycarbonyl)amino)(phenyl)methyl)-2-fluoromalonate

B: 1236293-03-0
(S)-diethyl 2-(((tert-butoxycarbonyl)amino)(phenyl)methyl)-2-fluoromalonate

Conditions

Conditions	Yield
Stage #1: fluoromalonic acid diethyl ester With (S)-1-(1-(diphenylphosphino)-3-phenylpropan-2-yl)-3-(4-nitrophenyl)thiourea; acrylic acid methyl ester In dichloromethane at 20℃; for 0.166667h; Stage #2: benzaldehyde N-boc imine In diethyl ether at 20℃; for 3h; Mannich Aminomethylation;	A n/a B 90%
Stage #1: fluoromalonic acid diethyl ester With 1-{3,5-bis(trifluoromethyl)phenyl}-3-{(1R,2R)-2-(dimethylamino)cyclohexyl}thiourea In toluene at 20℃; for 0.0833333h; Mannich reaction; Stage #2: benzaldehyde N-boc imine In toluene at -78℃; for 24h; Mannich reaction; optical yield given as %ee; enantioselective reaction;

...Expand

: 685-88-1
fluoromalonic acid diethyl ester

: 1092546-75-2
1-(4-chlorophenyl)-4,4,4-trifluorobut-2-en-1-one

: (S)-diethyl 2-(4-(4-chlorophenyl)-1,1,1-trifluoro-4-oxobutan-2-yl)-2-fluoromalonate

Conditions

Conditions	Yield
With potassium phosphate; N-((S)-1-(((S)-1-(diphenylphosphanyl)-3-ethylpentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)-3,5-bis(trifluoromethyl)benzamide; acrylic acid methyl ester In toluene at -20℃; for 60h; Michael Addition; enantioselective reaction;	90%

Diethyl fluoromalonate Chemical Properties

Product Name: Diethyl fluoromalonate (CAS NO.685-88-1)

Molecular Formula: C₇H₁₁FO₄
Molecular Weight: 178.16g/mol
Mol File: 685-88-1.mol
EINECS: 211-684-7
Boiling point: 222.3 °C at 760 mmHg
Flash Point: 62.2 °C
Density: 1.135 g/cm³
Refractive index: n20/D 1.407(lit.)
Index of Refraction: 1.401 Molar Refractivity: 38.15 cm³
Molar Volume: 156.8 cm³
Surface Tension: 29.9 dyne/cm
Enthalpy of Vaporization: 45.87 kJ/mol
Vapour Pressure: 0.103 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Diethyl fluoromalonate (CAS NO.685-88-1):
IUPAC Name: diethyl 2-fluoropropanedioate
Canonical SMILES: CCOC(=O)C(C(=O)OCC)F
InChI: InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChIKey: GOWQBFVDZPZZFA-UHFFFAOYSA-N
Product Categories: Small molecule;Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry; C6 to C7; Carbonyl Compounds; Esters

Diethyl fluoromalonate Safety Profile

Safety Information of Diethyl fluoromalonate (CAS NO.685-88-1):
Hazard Codes: C Corrosive ,T Toxic T
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45-25-27
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S25:Avoid contact with eyes.
S27:Take off immediately all contaminated clothing.
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
RTECS: OO1670000
F: 19
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: III

Diethyl fluoromalonate Specification

Diethyl fluoromalonate , its CAS NO. is 685-88-1, the synonyms are Diethyl fluoropropanedioate ; Fluoromalonic acid diethyl ester ; Malonic acid, fluoro-, diethyl ester ; Propanedioic acid, fluoro-, diethyl ester (9CI) .

Product Name

Diethyl fluoromalonate

Synthetic route

Diethyl fluoromalonate Chemical Properties

Diethyl fluoromalonate Safety Profile

Diethyl fluoromalonate Specification

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