Methyl cyanoacetate supplier

Name
Methyl cyanoacetate
EINECS 203-288-8
CAS No. 105-34-0
Article Data59
CAS DataBase
Density 1.123 g/cm³
Solubility 54 g/L (20 ºC)
Melting Point -13 °C
Formula C₄H₅NO₂
Boiling Point 140.3 °C at 760 mmHg
Molecular Weight 99.0892
Flash Point 42.7 °C
Transport Information UN 3276
Appearance clear colorless to very slighlty yellow liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Acetic acid, cyano-, methyl ester;Cyanoacetic acid methyl ester;Methylcyenoecetatc;Methyl Cyanoacetate (MCA);Cyanoacetic acid, methyl ester;Methyl cyanoethanoate;Methyl 2-cyanoacetate;Usaf kf-22;Methylester kyseliny kyanoctove [Czech];
PSA 50.09000
LogP 0.07308

Synthetic route

: 67-56-1
methanol

: 372-09-8
cyanoacetic acid

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine In dichloromethane for 1h; Ambient temperature;	97%
With N-Bromosuccinimide at 70℃; for 20h;	97%
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione at 70℃; for 20h;	97%

: 110-67-8
3-Methoxypropionitrile

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With N-hydroxyphthalimide; oxygen; cobalt(II) acetate In acetic acid at 130 - 190℃; under 6750.68 Torr; for 3 - 7h;

: 3154-54-9
methyl N-formylglycinate

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate In dichloromethane at 0℃; for 1h;

: 67-56-1
methanol

: 105-56-6
ethyl 2-cyanoacetate

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
scandium tris(trifluoromethanesulfonate) at 64℃; for 8h;	89%
With titanium(IV) isopropylate for 2h; Inert atmosphere; Reflux;	80%
With potassium fluoride
acrylonitrile; triphenylphosphine at 25℃; for 1h;	100 % Chromat.
With HZnPS-1, porous sulfonated zinc phosphonate material at 24.84℃; for 24h;	520 mg

: 96-34-4
methyl chloroacetate

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
at 70℃; for 2.5h; Temperature;	96.2%

: 74-87-3
methylene chloride

: 372-09-8
cyanoacetic acid

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide In tert-butyl methyl ether; water

: 67-56-1
methanol

: 107-91-5
cyanoacetic acid amide

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With Amberlyst 15 at 60℃; for 18h;	85%

: 35234-87-8
dimethyl 2,3-dicyanofumarate

: 109-77-3
malononitrile

A: 101342-43-2
methyl tricyanoethylenecarboxylate

B: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
In acetic acid at 100℃; for 0.5h;	A 30% B n/a

...Expand

: 143-33-9
sodium cyanide

: 96-34-4
methyl chloroacetate

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With PEG400 at 120℃; for 5h;	84%
With water; acetic acid at 80 - 85℃;

: 51513-29-2
methyl malonamate

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With lead acetate In dichloromethane for 12h; Reflux;	86%

: 124-41-4
sodium methylate

: 105-56-6
ethyl 2-cyanoacetate

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
at 0℃; for 0.166667h;

: 67-56-1
methanol

: 105-56-6
ethyl 2-cyanoacetate

A: 64-17-5
ethanol

B: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
Stage #1: methanol; ethyl 2-cyanoacetate at 59.84℃; for 0.25h; Stage #2: With hybrid supermicroporous iron(III) phosphonate nanoparticle (HFeP-1-3) at 59.84℃; for 6h; Reagent/catalyst;	A n/a B 85.6%

...Expand

: 67-56-1
methanol

: 10258-54-5
2-methoxyethyl cyanoacetate

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
(EtO)3TiO(CH2)2OTi(OEt)3 for 21h; Heating;	88%

: 151-50-8
potassium cyanide

: 105-39-5
chloroacetic acid ethyl ester

A: 105-56-6
ethyl 2-cyanoacetate

B: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With methanol

...Expand

: 39687-95-1
isocyanoacetic acid methyl ester

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
at 520 - 550℃; under 0.01 Torr;	97%
With 1,1-Diphenylethylene In 1,3,5-trimethyl-benzene at 210℃; Rate constant; Thermodynamic data; ΔG(excit.) <250 deg C>; ΔH(excit.), ΔS(excit.);	101 % Chromat.

: 67-56-1
methanol

: 109-77-3
malononitrile

A: 105-34-0
methyl 2-cyanoacetate

B: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate for 68h; Heating;	A 68% B 28%

...Expand

: 67-56-1
methanol

: 109-77-3
malononitrile

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With iron(III) chloride for 1h; Heating;	71%

: 67-56-1
methanol

: 1071-36-9
sodium cyanoacetate

: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
With sulfuric acid; benzene

: 2-cyano-3-methyl-non-2-enoic acid methyl ester

: 7732-18-5
water

: 4540-33-4
piperdinium acetate

A: 16630-91-4
2-methylheptanal

B: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
at 125℃;

...Expand

: 67-66-3
chloroform

: 15732-02-2
1-cyano-2,2-bis(methoxy)ethylene

bromine (0.6 mol): bromine (0.6 mol)

A: 31253-11-9
methyl 2-bromo-2-cyanoacetate

B: 857576-02-4
2-bromo-3,3-dimethoxy-acrylonitrile

C: 105-34-0
methyl 2-cyanoacetate

Conditions

Conditions	Yield
at -10℃;

...Expand

: 7647-01-0
hydrogenchloride

: 67-56-1
methanol

: 70138-31-7
2-cyano-1,1,1-trimethoxyethane

A: 105-34-0
methyl 2-cyanoacetate

B: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
at 0℃;

...Expand

: 2,4-dicyano-3-hydroxy-3-phenyl-glutaric acid dimethyl ester

alcoholic KOH-solution: alcoholic KOH-solution

A: 3239-71-2
Methyl 2-Cyano-3-oxo-3-phenylpropanoate

B: 65-85-0
benzoic acid

C: 105-34-0
methyl 2-cyanoacetate

...Expand

: 123-08-0
4-hydroxy-benzaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 3695-85-0
methyl 2-(4-hydroxybenzylidene)-2-cyanoacetate

Conditions

Conditions	Yield
at 170℃; for 1h; Knoevenagel condensation;	100%
With potassium carbonate; thiourea In water at 20℃; for 0.166667h;	98%
With C8H18NO3(1+)*C2H4NO2(1-) In water at 20℃; Knoevenagel Condensation;	96%

: 100-10-7
4-dimethylamino-benzaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 3785-86-2, 13432-69-4
methyl (E)-2-cyano-3-(4-(N,N-dimethylamino)phenyl)-2-propenoate

Conditions

Conditions	Yield
at 170℃; for 1h; Knoevenagel condensation;	100%
With silica sodium carbonate nanoparticles In acetonitrile at 70℃; Knoevenagel Condensation; Sonication; Green chemistry;	95%
With tetra(n-butyl)ammonium hydroxide In ethanol; water at 20℃; for 0.166667h; Knoevenagel condensation;	94%

: 104-88-1
4-chlorobenzaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 49678-54-8
methyl (E)-2-cyano-3-(4-chlorophenyl)-2-propenoate

Conditions

Conditions	Yield
With aluminum oxide Inert atmosphere; Neat (no solvent);	100%
With piperidine; acetic acid In benzene for 2.5h; Knoevenagel Condensation; Dean-Stark; Reflux;	95%
With copolymer of allylamine and epichlorohydrin (11 molpercent) In water at 20℃; for 0.833333h; Knoevenagel Condensation; Green chemistry;	91%

: 555-16-8
4-nitrobenzaldehdye

: 105-34-0
methyl 2-cyanoacetate

: 42348-04-9
methyl (E)-2-cyano-3-(4-nitrophenyl)-2-propenoate

Conditions

Conditions	Yield
With calcite grains for 0.5h; Product distribution; Further Variations:; Reagents; Knoevenagel condensation; ball-milling conditions;	100%
With aluminum oxide Inert atmosphere; Neat (no solvent);	100%
With copolymer of allylamine and epichlorohydrin (11 molpercent) In water at 20℃; for 0.666667h; Knoevenagel Condensation; Green chemistry;	93%

: 100-52-7
benzaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 14533-86-9
methyl (E)-2-cyano-3-phenylprop-2-enoate

Conditions

Conditions	Yield
aluminum oxide for 0.05h; Product distribution; Ambient temperature; investigation of reaction of aldehydes and ketones with active methylene compounds with and without solvent;	100%
aluminum oxide for 0.05h; Ambient temperature;	100%
With aluminum oxide for 0.0833333h; Inert atmosphere;	100%

: 123-11-5
4-methoxy-benzaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 14479-58-4
methyl (E)- 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Conditions

Conditions	Yield
With aluminum oxide Inert atmosphere; Neat (no solvent);	100%
With C8H18NO3(1+)*C2H4NO2(1-) In water at 20℃; Knoevenagel Condensation;	98%
With piperidine; acetic acid In benzene for 2.5h; Knoevenagel Condensation; Dean-Stark; Reflux;	97%

: 122-51-0
orthoformic acid triethyl ester

: 105-34-0
methyl 2-cyanoacetate

: 29096-99-9
α-ethoxymethylene methyl cyanoacetate

Conditions

Conditions	Yield
Stage #1: orthoformic acid triethyl ester; methyl 2-cyanoacetate at 20 - 30℃; Stage #2: With acetic anhydride; acetic acid at 30 - 110℃; for 4h; Inert atmosphere;	100%
With acetic anhydride for 3.4h; Time; Reflux;	86%
With acetic anhydride

: 104-55-2
3-phenyl-propenal

: 105-34-0
methyl 2-cyanoacetate

: 85620-43-5
2-cyano-5-phenyl-2,4-pentadien carboxylic acid methyl ester

Conditions

Conditions	Yield
aluminum oxide for 0.05h; Ambient temperature;	100%
With diammonium phosphate In water at 20℃; Knoevenagel condensation;	90%
With Porcine Pancreas Lipase In water; tert-butyl alcohol at 40℃; for 120h; Knoevenagel Condensation; Enzymatic reaction; stereoselective reaction;	89%
With aluminum oxide; ammonium acetate for 0.0333333h; Knoevenagel condensation; microwave irradiation (850 watt);	70%

: 105-07-7
4-cyanobenzaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 102070-03-1
(E)-methyl 2-cyano-3-(4-cyanophenyl)acrylate

Conditions

Conditions	Yield
With calcite grains for 0.5h; Product distribution; Further Variations:; Reagents; Knoevenagel condensation; ball-milling conditions;	100%
With aluminum oxide Inert atmosphere; Neat (no solvent);	100%
xonotlite; potassium tert-butylate for 1h;	88%
With piperidine; acetic acid In benzene for 2.5h; Knoevenagel Condensation; Dean-Stark; Reflux;	87%
With piperidine; acetic acid In methanol at 20℃; Schlenk technique; Inert atmosphere;	82%

: 61221-48-5
trans-5-methyl-2-cyclohexen-1-yl acetate

: 105-34-0
methyl 2-cyanoacetate

: Cyano-((1S,5R)-5-methyl-cyclohex-2-enyl)-acetic acid methyl ester

Conditions

Conditions	Yield
With isopropylmagnesium chloride; 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran for 24h; Product distribution; Heating; other catalyst;	100%

: 105-34-0
methyl 2-cyanoacetate

: 108-59-8
malonic acid dimethyl ester

A: 6914-71-2
dimethyl 1,1-cyclopropanedicarboxylate

B: 38806-09-6
1-acetylcyclopropanecarboxylic acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate; 18-crown-6 ether In butanone for 3h; Heating;	A 100% B 75%

...Expand

: 10111-08-7
2-imidazolecarbaldehyde

: 105-34-0
methyl 2-cyanoacetate

: (E)-2-Cyano-3-(1H-imidazol-2-yl)-acrylic acid methyl ester

Conditions

Conditions	Yield
With piperidine; acetic acid In toluene for 1h; Ambient temperature;	100%

: 66-25-1
hexanal

: 105-34-0
methyl 2-cyanoacetate

: 111735-80-9
(E)-2-cyano-oct-2-enoic acid methyl ester

Conditions

Conditions	Yield
With piperidine; acetic acid at 20℃; for 14h;	100%

: 122-78-1
phenylacetaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 61325-02-8
2-amino-5-phenylthiophene-3-carboxylic acid methyl ester

Conditions

Conditions	Yield
With sulfur; N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide) at 18 - 25℃;	100%
With sulfur; triethylamine In N,N-dimethyl-formamide at 20℃; for 21h;	90%
With sulfur; triethylamine In ethanol at 20℃; for 1h; Gewald reaction; Reflux;	63%

: 66-77-3
1-naphthaldehyde

: 105-34-0
methyl 2-cyanoacetate

: methyl (E)-2-cyano-3-(naphthen-1-yl)acrylate

Conditions

Conditions	Yield
ytterbium(III) triflate In ethanol at 20℃; for 5h;	100%
With piperidine; acetic acid In benzene for 2.5h; Knoevenagel Condensation; Dean-Stark; Reflux;	93%
piperidine In methanol at 50 - 60℃; for 0.5 - 10h; Product distribution / selectivity;	92.5%
In methanol at 20℃; for 24h; Product distribution / selectivity;
With C112H128N32Pd4(12+) at 50℃; for 9h;

: 421-83-0
trifluoromethane sulfonyl chloride

: 121-44-8
triethylamine

: 105-34-0
methyl 2-cyanoacetate

: 25761-68-6
methyl dichlorocyanoacetate

Conditions

Conditions	Yield
In dichloromethane 1:1 molar mixture of educts per acidic hydrogen, 20-25°C, 1 h;	100%
In dichloromethane 1:1 molar mixture of educts per acidic hydrogen, 20-25°C, 1 h;	100%

...Expand

: 421-83-0
trifluoromethane sulfonyl chloride

: 105-34-0
methyl 2-cyanoacetate

: 25761-68-6
methyl dichlorocyanoacetate

Conditions

Conditions	Yield
With 1,5-Diazabicyclo[5.4.0]undec-5-ene In dichloromethane 1:1 molar mixture of educts per acidic hydrogen, 20-25°C, 1 h;	100%
With 1,5-diazabicyclo(5.4.0)undec-5-ene In dichloromethane 1:1 molar mixture of educts per acidic hydrogen, 20-25°C, 1 h;	100%

: 76124-95-3
trans-[PtOH(Ph)(P-t-BuMe2)2]

: 105-34-0
methyl 2-cyanoacetate

: 76316-38-6
trans-Pt(NCCHCO2Me)Ph(P-t-BuMe2)2

Conditions

Conditions	Yield
In benzene stirring at room temp. for 2 h; evapn.; elem. anal.;	100%

: 62938-08-3
3,5-di-tert-butylbenzyl bromide

: 105-34-0
methyl 2-cyanoacetate

: 1202779-03-0
cyano-di(3,5-ditert-butyl-benzyl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium methylate In methanol at 20℃; Stage #2: 3,5-di-tert-butylbenzyl bromide In methanol Reflux;	100%

: 637-59-2
1-Bromo-3-phenylpropane

: 105-34-0
methyl 2-cyanoacetate

: 1202778-95-7
cyano-di(3-phenyl-prop-1-yl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium methylate In methanol at 20℃; Stage #2: 1-Bromo-3-phenylpropane In methanol Reflux;	100%

: 877-88-3
3,5-dimethoxybenzyl bromide

: 105-34-0
methyl 2-cyanoacetate

: 1202779-02-9
cyano-di(3,5-dimethoxy-benzyl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium methylate In methanol at 20℃; Stage #2: 3,5-dimethoxybenzyl bromide In methanol Reflux;	100%

: 73789-86-3
4-i-propylbenzyl bromide

: 105-34-0
methyl 2-cyanoacetate

: 1202778-99-1
cyano-di(4-isopropyl-benzyl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium methylate In methanol at 20℃; Stage #2: 4-i-propylbenzyl bromide In methanol Reflux;	100%

: 104-81-4
4-Methylbenzyl bromide

: 105-34-0
methyl 2-cyanoacetate

: 1202778-97-9
cyano-di(4-methyl-benzyl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium methylate In methanol at 20℃; Stage #2: 4-Methylbenzyl bromide In methanol Reflux;	100%

: 939-26-4
2-bromomethylnaphthyl bromide

: 105-34-0
methyl 2-cyanoacetate

: 1202778-96-8
methyl 2-cyano-3-(2-naphthyl)-2-[(2-naphthyl)methyl]propionate

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium methylate In methanol at 20℃; Stage #2: 2-bromomethylnaphthyl bromide In methanol Reflux;	100%
Stage #1: methyl 2-cyanoacetate With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; for 0.0333333h; Stage #2: 2-bromomethylnaphthyl bromide In dichloromethane at 0 - 20℃;	95%
Stage #1: methyl 2-cyanoacetate With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 2-bromomethylnaphthyl bromide In N,N-dimethyl-formamide at 20℃;
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 18h;

: 402-49-3
4-bromomethyltrifluoromethylbenzene

: 105-34-0
methyl 2-cyanoacetate

: 1202778-98-0
methyl 2-cyano-3-[4-(trifluoromethyl)phenyl]-2-{[4-(trifluoromethyl)phenyl]methyl}propionate

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium methylate In methanol at 20℃; Stage #2: 4-bromomethyltrifluoromethylbenzene In methanol Reflux;	100%
Stage #1: methyl 2-cyanoacetate With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; for 0.0333333h; Stage #2: 4-bromomethyltrifluoromethylbenzene In dichloromethane at 0 - 20℃;	80%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃;	80%

: 188976-06-9
N-propargyl-2,4-bis(trifluoroacetyl)-1-naphthylamine

: 105-34-0
methyl 2-cyanoacetate

: 1219604-14-4
2-oxo-1-(prop-2-ynyl)-6-(2,2,2-trifluoroacetyl)-4-(trifluoromethyl)-1,2-dihydrobenzo[h]quinoline-3-carbonitrile

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium In methanol at 20℃; for 0.25h; Stage #2: N-propargyl-2,4-bis(trifluoroacetyl)-1-naphthylamine In methanol at 30℃; for 24h;	100%

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 105-34-0
methyl 2-cyanoacetate

: 15029-35-3
3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanenitrile

Conditions

Conditions	Yield
neat (no solvent);	100%

: 3731-51-9
(2-aminomethylpyridine)

: 105-34-0
methyl 2-cyanoacetate

: 84951-58-6
2-cyano-N-(pyridin-2-ylmethyl)acetamide

Conditions

Conditions	Yield
at 0 - 20℃; Neat (no solvent);	100%
In neat (no solvent) at 20℃;

: (3aR,4R,5RS,7aS)-4-[(R)-5-(tert-butyldimethylsilyloxy)hexyl]-5-(methoxymethoxy)-3a,4,5,7a-tetrahydrobenzofuran-2(3H)-one

: 105-34-0
methyl 2-cyanoacetate

: methyl (3aS,4R,5RS,7aS)-4-[(R)-5-(tert-butyldimethylsilyloxy)hexyl]-5-(methoxymethoxy)-2-oxo-2,3,3a,4,5,7a-hexahydrobenzofuran-3-carboxylate

Conditions

Conditions	Yield
Stage #1: (3aR,4R,5RS,7aS)-4-[(R)-5-(tert-butyldimethylsilyloxy)hexyl]-5-(methoxymethoxy)-3a,4,5,7a-tetrahydrobenzofuran-2(3H)-one With lithium hexamethyldisilazane In tetrahydrofuran; hexane at -78℃; for 0.166667h; Inert atmosphere; Stage #2: methyl 2-cyanoacetate In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;	100%

: 108-00-9
N,N-dimethylethylenediamine

: 105-34-0
methyl 2-cyanoacetate

: 15029-55-7
2-cyano-N-(2-(dimethylamino)ethyl)acetamide

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 48h;	100%

Methyl cyanoacetate Consensus Reports

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

Methyl cyanoacetate Specification

The CAS registry number of Methyl cyanoacetate is 105-34-0. Its EINECS registry number is 203-288-8. The IUPAC name is methyl 2-cyanoacetate. In addition, the molecular formula is C₄H₅NO₂. What's more, it is a kind of clear colorless to very slighlty yellow liquid, which can be used as intermediates for medicine, pigment and pesticide. Besides, it is also used in the preparation of adhesive, methyl cyanopropenoate and vitamin 6.

Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 50.09 Å²; (8)Index of Refraction: 1.402; (9)Molar Refractivity: 22.26 cm³; (10)Molar Volume: 91.4 cm³; (11)Polarizability: 8.82 ×10^-24cm³; (12)Surface Tension: 36.2 dyne/cm; (13)Density: 1.083 g/cm³; (14)Flash Point: 86.5 °C; (15)Enthalpy of Vaporization: 44.42 kJ/mol; (16)Boiling Point: 208 °C at 760 mmHg; (17)Vapour Pressure: 0.219 mmHg at 25°C.

Preparation of Methyl cyanoacetate: it can be prepared by cyanoethylolmethoxycarbonyl and sodium cyanide. Add sodium cyanide, methanol and solvent PTC into the reactor at first. Then heat it to 55 °C with stirring. Next, add cyanoethylolmethoxycarbonyl into yhe mixture in 15 minutes with stirring. The reaction should react for 3 hours. At last, through a series of filtration, distillation and vacuum distillation you can get the desired product.

Uses of Methyl cyanoacetate: it can react with benzaldehyde to get 2-cyano-3t-phenyl-acrylic acid methyl ester. This reaction will need catalyst natural phosphate and solvent methanol. The reaction time is 15 minutes at reaction temperature of 20 °C. The yield is about 85%.

Methyl cyanoacetate can react with benzaldehyde to get 2-cyano-3t-phenyl-acrylic acid methyl ester

When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(=O)OC
(2)InChI: InChI=1/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
(3)InChIKey: ANGDWNBGPBMQHW-UHFFFAOYAG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LDLo	skin	400mg/kg (400mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 920, 1986.
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,

Product Name

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