Propanedioic acid,2-methoxy-, 1,3-dimethyl ester supplier

Name
DIMETHYL METHOXYMALONATE
EINECS 225-697-0
CAS No. 5018-30-4
Article Data21
CAS DataBase
Density 1.147 g/cm³
Solubility
Melting Point 11-12 °C
Formula C₆H₁₀O₅
Boiling Point 215.8 °C at 760 mmHg
Molecular Weight 162.142
Flash Point 107.8 °C
Transport Information
Appearance clear colourless liquid after melting
Safety 24/25-36-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Malonicacid, methoxy-, dimethyl ester (7CI,8CI);Propanedioic acid, methoxy-, dimethylester (9CI);Dimethyl 2-methoxymalonate;Dimethyl methoxymalonate;dimethyl methoxypropanedioate;propanedioic acid, 2-methoxy-, dimethyl ester;2-Methoxy-malonic acid dimethyl ester;dimethyl 2-methoxymalonate;dimethyl 2-methoxypropane-1,3-dioate;
PSA 61.83000
LogP -0.65260

Synthetic route

: 84212-88-4
chloropentamethoxycyclopropane

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
With silver perchlorate In methanol	85%

: 67-56-1
methanol

: 6773-29-1
dimethyl diazomalonate

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
dirhodium tetraacetate In dichloromethane at 18 - 20℃; for 48h;	70%
With dirhodium tetraacetate In dichloromethane at 20℃; for 48h; Inert atmosphere;	70%
With copper(l) iodide; phosphorous acid trimethyl ester
copper In toluene

: C8H16O5(1+)*AlBr3Cl(1-)

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
With sodium methylate In methanol; dichloromethane-d2	60%

: 67-56-1
methanol

: 6773-29-1
dimethyl diazomalonate

A: 34259-29-5
dimethyl 2-hydroxymalonate

B: 5018-30-4
dimethyl methoxymalonate

C: 24889-15-4
methyl 2-(methoxycarbonyl)-4-oxopentanonate

D: 62609-79-4
methyl 2,2-dimethyl-5-oxo-1,3-dioxolane-4-carboxylate

Conditions

Conditions	Yield
In acetone for 10h; Irradiation;	A 24% B 1% C 0.5% D 31%

...Expand

: 6773-29-1
dimethyl diazomalonate

: 67-64-1
acetone

A: 34259-29-5
dimethyl 2-hydroxymalonate

B: 5018-30-4
dimethyl methoxymalonate

C: 24889-15-4
methyl 2-(methoxycarbonyl)-4-oxopentanonate

D: 62609-79-4
methyl 2,2-dimethyl-5-oxo-1,3-dioxolane-4-carboxylate

Conditions

Conditions	Yield
for 10h; Product distribution; Irradiation; reaction in the presence of benzophenone;	A 24% B 1% C 0.5% D 31%
for 10h; Irradiation;	A 24% B 1% C 0.5% D 31%

...Expand

: 6773-29-1
dimethyl diazomalonate

: 96-22-0
pentan-3-one

A: 34259-29-5
dimethyl 2-hydroxymalonate

B: 5018-30-4
dimethyl methoxymalonate

C: 37069-22-0
methyl 2-(methoxycarbonyl)-5-oxoheptanoate

D: 111209-93-9
methyl 2-(methoxycarbonyl)-3-oxoheptanoate

E: 2,2-diethyl-5-(methoxycarbonyl)-1,3-dioxolan-4-one

Conditions

Conditions	Yield
for 10h; Product distribution; Irradiation; reaction in the presence of benzophenone;	A 21% B 0.6% C 3.8% D 4.7% E 13%

...Expand

: 36797-93-0
dimethyl 3-methoxy-2-oxo-1,4-butanedioate

: 5018-30-4
dimethyl methoxymalonate

: 186581-53-3, 908094-01-9
diazomethane

: 6773-29-1
dimethyl diazomalonate

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
(i) (irradiation), THF, H2O, (ii) /BRN= 102415/; Multistep reaction;

: 186581-53-3, 908094-01-9
diazomethane

: 40924-27-4
diethyl methoxymalonate

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
(i) aq. NaOH, (ii) /BRN= 102415/; Multistep reaction;

: 553-90-2
Dimethyl oxalate

: 6290-49-9
methyl methoxyacetate

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
With sodium methylate In benzene

: 6290-49-9
methyl methoxyacetate

: 5018-30-4
dimethyl methoxymalonate

: 503-30-0
trimethylene oxide

: 67-56-1
methanol

: 6773-29-1
dimethyl diazomalonate

A: 5018-30-4
dimethyl methoxymalonate

B: 133649-65-7
(3-Methoxypropoxy)malonsaeure-dimethylester

C: 133649-63-5
2-Oxetanylmalonsaeure-dimethylester

D: 133649-64-6
Tetrahydrofuran-2,2-dicarbonsaeure-dimethylester

Conditions

Conditions	Yield
at 0℃; Irradiation; Yield given. Yields of byproduct given;

...Expand

: 67-56-1
methanol

: 138434-87-4
dibenzyl 2-methoxymalonate

A: 5018-30-4
dimethyl methoxymalonate

: 138434-85-2, 138434-89-6
(+)-methoxy benzyl methyl malonate

: 138434-85-2, 138434-89-6
(-)-methoxy benzyl methyl malonate

Conditions

Conditions	Yield
In hexane at 40℃; lipase from Candida cylindracea; stopped at 50percent conversion; Title compound not separated from byproducts;

...Expand

: 84212-88-4
chloropentamethoxycyclopropane

A: 5018-30-4
dimethyl methoxymalonate

B: 92095-79-9
methyl 2,2,3,3-tetramethoxypropanoate

Conditions

Conditions	Yield
With tert.-butyl lithium; oxygen 1.) ether, -78 deg C, 20 min, 2.) ether, -78 deg C, 3 h -> room temperature; Yield given. Multistep reaction. Yields of byproduct given;

: 6290-49-9
methyl methoxyacetate

: 616-38-6
carbonic acid dimethyl ester

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
With sodium methylate for 2h; Heating;	18.3 g

: methyl trimethoxyacrylate

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
With silver perchlorate In methanol

: 6773-29-1
dimethyl diazomalonate

: 149-73-5
trimethyl orthoformate

A: 5018-30-4
dimethyl methoxymalonate

B: 88969-16-8
methyl 2-carbomethoxy-2,3,3-trimethoxypropanoate

Conditions

Conditions	Yield
copper(II) bis(trifluoromethanesulfonate) at 50℃; for 4h; also with Rh2(OAc)4 as catalyst;	A 20 % Chromat. B 46 % Chromat.
copper(II) bis(trifluoromethanesulfonate) at 50℃; for 4h; Product distribution; also with Rh2(OAc)4 as catalyst;	A 20 % Chromat. B 46 % Chromat.
copper(II) bis(trifluoromethanesulfonate) at 50℃; for 4h;	A 20 % Chromat. B 46 % Chromat.

...Expand

: 67-56-1
methanol

: 138434-87-4
dibenzyl 2-methoxymalonate

A: 5018-30-4
dimethyl methoxymalonate

B: (R)-(+)-benzyl,methyl 2-methoxymalonate

C: 138434-85-2
(S)-(-)-benzyl,methyl 2-methoxymalonate

Conditions

Conditions	Yield
In hexane at 40℃; for 0.75h; lipase from Candida cylindracea; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 36797-93-0
dimethyl 3-methoxy-2-oxo-1,4-butanedioate

A: 5018-30-4
dimethyl methoxymalonate

B CO: CO

Conditions

Conditions	Yield
Destillation;

: 108-59-8
malonic acid dimethyl ester

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: TsN3, Et3N / acetonitrile 2: (i) (irradiation), THF, H2O, (ii) /BRN= 102415/ View Scheme
Multi-step reaction with 2 steps 1: TsN3, Et3N / acetonitrile 2: Cu / toluene View Scheme

: 67-56-1
methanol

: 72932-82-2
benzothiophenium bismethoxycarbonylmethylide

A: 5018-30-4
dimethyl methoxymalonate

B: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
In acetonitrile UV-irradiation;

...Expand

: 67-56-1
methanol

: 72932-82-2
benzothiophenium bismethoxycarbonylmethylide

A: 5018-30-4
dimethyl methoxymalonate

B: 108-59-8
malonic acid dimethyl ester

C: 95-15-8
Benzo[b]thiophene

Conditions

Conditions	Yield
In acetonitrile Quantum yield; UV-irradiation;

...Expand

: 67-56-1
methanol

: 34297-79-5
dibenzothiophenium bismethoxycarbonylmethylide

A: 132-65-0
dibenzothiophene

B: 5018-30-4
dimethyl methoxymalonate

C: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
In acetonitrile Quantum yield; UV-irradiation;

...Expand

: 67-56-1
methanol

: 34297-79-5
dibenzothiophenium bismethoxycarbonylmethylide

A: 5018-30-4
dimethyl methoxymalonate

B: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
In acetonitrile UV-irradiation;
With benzophenone Inert atmosphere; UV-irradiation;	A 9 %Chromat. B 57 %Chromat.

...Expand

: 67-56-1
methanol

: 63196-84-9
thiophenium bis(methoxycarbonyl)methylide

A: 188290-36-0
thiophene

B: 66946-94-9
dimethyl (2-thienyl)propanedioate

C: 5018-30-4
dimethyl methoxymalonate

D: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
In acetonitrile Quantum yield; UV-irradiation;

...Expand

: 67-56-1
methanol

: 63196-84-9
thiophenium bis(methoxycarbonyl)methylide

A: 66946-94-9
dimethyl (2-thienyl)propanedioate

B: 5018-30-4
dimethyl methoxymalonate

C: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
In acetonitrile UV-irradiation;

...Expand

: 67-56-1
methanol

: 1107692-57-8
C9H8Br2O4S

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
at 80℃; Inert atmosphere;

: 67-56-1
methanol

: 1107692-57-8
C9H8Br2O4S

A: 5018-30-4
dimethyl methoxymalonate

B: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
Inert atmosphere; UV-irradiation;	A 86.5 %Chromat. B 9.4 %Chromat.

...Expand

: 67-56-1
methanol

: 1107692-58-9
dimethylmalonate-3,4-dibromothiophene-S,C-ylide

: 5018-30-4
dimethyl methoxymalonate

Conditions

Conditions	Yield
at 80℃; Inert atmosphere;

: 5018-30-4
dimethyl methoxymalonate

: 57584-77-7
methoxymalonic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 65℃;	100%
With potassium hydroxide In methanol Heating;	1.28 g

: 101990-45-8
2-bromo-5-bromomethylpyridine

: 5018-30-4
dimethyl methoxymalonate

: 784149-99-1
dimethyl [(6-bromopyridin-3-yl)methyl](methoxy)malonate

Conditions

Conditions	Yield
With potassium tert-butylate In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 3.5h;	100%

: 5018-30-4
dimethyl methoxymalonate

: 593-85-1
diguanidine carbonate

: 98142-98-4
2-amino-5-methoxypyrimidine-4,6-diol

Conditions

Conditions	Yield
Stage #1: diguanidine carbonate With ethanol; sodium at 80℃; for 0.5h; Inert atmosphere; Stage #2: dimethyl methoxymalonate at 80℃; for 2h;	100%

: 5018-30-4
dimethyl methoxymalonate

: methyl (naphthalen-1-ylmethyl) carbonate

: dimethyl methoxy[(1-naphthyl)methyl]malonate

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; [PdCp(η3-C3H5)] In tetrahydrofuran at 80℃; for 1h;	99%

: 5018-30-4
dimethyl methoxymalonate

: 124-41-4
sodium methylate

: 57-13-6
urea

: 60703-43-7
6-hydroxy-5-methoxy-1H-pyrimidine-2,4-dione

Conditions

Conditions	Yield
Stage #1: dimethyl methoxymalonate; sodium methylate; urea In ethanol at 100℃; for 4h; Stage #2: With hydrogenchloride In ethanol; water pH=3 - 4;	99%

...Expand

: 50-00-0
formaldehyd

: 5018-30-4
dimethyl methoxymalonate

: 1620016-98-9
dimethyl 2-(hydroxymethyl)-2-methoxymalonate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 0 - 20℃; for 20h;	98%
With sodium hydrogencarbonate In ethanol; water at 0 - 20℃; for 20h;	98%

: 160677-42-9
bis(1,1-dimethylethyl) [[(8-aminooctyl)imino]methylene]biscarbamate

: 5018-30-4
dimethyl methoxymalonate

A: 170368-22-6
1-(1,1-Dimethylethyl) 16-methyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]-15-methoxy-14-oxo-2,4,13-triazahexadec-2-enedioate

B: 170367-46-1
1-(1,1-Dimethylethyl) 16-ethyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]-15-phenylmethoxy-14-oxo-2,4,13-triazahexadec-2-enedioate

Conditions

Conditions	Yield
	A 95% B n/a

...Expand

: 5018-30-4
dimethyl methoxymalonate

: 270921-39-6
(4-methoxyphenyl)methyl methyl carbonate

: dimethyl methoxy[(4-methoxyphenyl)methyl]malonate

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; N,O-bis-(trimethylsilyl)-acetamide; {(η4-1,5-cyclooctadiene)Pd(η3-allyl)}BF4; potassium acetate In tetrahydrofuran at 80℃; for 24h;	94%
With 1,1'-bis-(diphenylphosphino)ferrocene; 1,5-cis,cis-cyclooctadiene; [PdCp(η3-C3H5)] In tetrahydrofuran at 80℃;	90%
With 1,1'-bis(diisopropylphosphino)ferrocene; {(η4-1,5-cyclooctadiene)Pd(η3-allyl)}BF4; caesium carbonate In N,N-dimethyl-formamide at 30℃; for 24h; Inert atmosphere;	90%

: 5018-30-4
dimethyl methoxymalonate

: methyl (2-methylphenyl)methyl carbonate

: dimethyl methoxy[(2-methylphenyl)methyl]malonate

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; N,O-bis-(trimethylsilyl)-acetamide; {(η4-1,5-cyclooctadiene)Pd(η3-allyl)}BF4; potassium acetate In tetrahydrofuran at 80℃; for 24h;	92%

: 5018-30-4
dimethyl methoxymalonate

: 66086-33-7
Di-tert-butyl acetylenedicarboxylate

: 603-35-0
triphenylphosphine

: 2,3-di-tert-butyl 1,1-dimethyl 1-methoxy-3-(1,1,1-triphenyl-λ5-phosphanylidene)-1,1,2,3-propanetetracarboxylate

Conditions

Conditions	Yield
In toluene for 5h; Heating;	92%

...Expand

: 5018-30-4
dimethyl methoxymalonate

: 761-06-8
2-methylglycerol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 120℃; for 6h; Inert atmosphere; Cooling with ice;	91.67%
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 16h; Cooling with ice; Inert atmosphere;	91.67%
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 16h; Inert atmosphere; Cooling with ice;	91.67%

: 5018-30-4
dimethyl methoxymalonate

: benzhydrilium tetrafluoroborate

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

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide at 20℃; Inert atmosphere;	91%

: 5018-30-4
dimethyl methoxymalonate

: 762-42-5
dimethyl acetylenedicarboxylate

: 603-35-0
triphenylphosphine

: tetramethyl 3-(1,1,1-triphenyl-λ5-phosphanylidene)-1-propene-1,1,2,3-tetracarboxylate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 24h;	90%

...Expand

: 5018-30-4
dimethyl methoxymalonate

: 13326-10-8
benzyl methyl carbonate

: 124604-07-5
dimethyl O-methylbenzyltartronate

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; N,O-bis-(trimethylsilyl)-acetamide; {(η4-1,5-cyclooctadiene)Pd(η3-allyl)}BF4; potassium acetate In tetrahydrofuran at 80℃; for 48h;	88%

: 5018-30-4
dimethyl methoxymalonate

: 623-05-2
(4-hydroxyphenyl)methanol

: 848245-33-0
2-(4-hydroxy-benzyl)-2-methoxy-malonic acid dimethyl ester

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile for 3h; Heating / reflux;	88%

: 160677-41-8
2-(6-aminohexyl)-1,3-diBocguanidine

: 5018-30-4
dimethyl methoxymalonate

A: 160677-53-2
1-(1,1-Dimethylethyl) 14-methyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]-13-methoxy-12-oxo-2,4,11-triazatetradec-2-enedioate

B: 160677-45-2
3-<<(1,1-dimethylethoxy)carbonyl>amino>-20-<(1,1-dimethylethoxy)carbonyl>-12,14-dioxo-2,4,11,15,20,24-hexaazapentacosenedioic acid, bis(1,1-dimethylethyl)ester

Conditions

Conditions	Yield
	A n/a B 87%

...Expand

: 5018-30-4
dimethyl methoxymalonate

: 181762-19-6
dimethyl 2-fluoro-2-methoxymalonate

Conditions

Conditions	Yield
With sodium hydride; Selectfluor In tetrahydrofuran for 0.333333h; Ambient temperature;	86%
With sodium hydride; fluorine In acetonitrile 1.) r.t., 1 h, 2.) -15 deg C, 1 h;	51 % Spectr.

: 5018-30-4
dimethyl methoxymalonate

: 85926-25-6
diphenylmethyl methyl carbonate

: dimethyl (diphenylmethyl)methoxymalonate

Conditions

Conditions	Yield
With sodium carbonate; [Pd(ϖ-C3H5)(cod)]BF4 In N,N-dimethyl-formamide at 120℃; for 24h;	86%

: 5018-30-4
dimethyl methoxymalonate

: 106-96-7
propargyl bromide

: 507471-59-2
dimethyl 2-methoxy-2-(2-propynyl)malonate

Conditions

Conditions	Yield
Stage #1: dimethyl methoxymalonate With n-butyllithium In hexane; tert-butyl alcohol for 0.25h; Stage #2: propargyl bromide In hexane; toluene; tert-butyl alcohol at 20℃; for 20h;	84%

: 5018-30-4
dimethyl methoxymalonate

: 100-51-6
benzyl alcohol

: 138434-85-2
(S)-(-)-benzyl,methyl 2-methoxymalonate

Conditions

Conditions	Yield
In hexane at 40℃; for 3.5h; lipase from Candida cylindracea;	83%

: 5018-30-4
dimethyl methoxymalonate

: 270921-40-9
[(4-trifluoromethyl)phenyl]methyl methyl carbonate

: dimethyl methoxy[{4-(trifluoromethyl)phenyl}methyl]malonate

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; N,O-bis-(trimethylsilyl)-acetamide; {(η4-1,5-cyclooctadiene)Pd(η3-allyl)}BF4; potassium acetate In tetrahydrofuran at 80℃; for 48h;	83%

: 5018-30-4
dimethyl methoxymalonate

: 155396-71-7
tert-butyl N-(phenyl(phenylsulfonyl)methyl)carbamate

: 2-(tert-butoxycarbonylamino-phenyl-methyl)-2-methoxy-malonic acid dimethyl ester

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 30℃; for 24h;	83%

: 5018-30-4
dimethyl methoxymalonate

: 104-21-2
p-methoxybenzyl acetate

: dimethyl methoxy[(4-methoxyphenyl)methyl]malonate

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; potassium carbonate; {(η4-1,5-cyclooctadiene)Pd(η3-allyl)}BF4 In tert-Amyl alcohol at 80℃; for 48h;	83%

: 5018-30-4
dimethyl methoxymalonate

: 161730-33-2, 193425-61-5, 164576-60-7
Fe(CO)2(P(C6H5)3)(C5H6CH3)(1+)*PF6(1-)=[Fe(CO)2(P(C6H5)3)(C5H6CH3)]PF6

: Fe(CO)2(P(C6H5)3)(CH2(CH)4(CH3)(C(OCH3)(COOCH3)2))

: Fe(CO)2(P(C6H5)3)(CH3(CH)4CH2(C(OCH3)(COOCH3)2))

Conditions

Conditions	Yield
With LDA In tetrahydrofuran stirring dimethyl methoxymalonate with LDAi at -78°C, addn. of Fe-complex, warming to 0°C, stirring for 2.5 h; addn. of H2O, extn. into ether, drying of org. layer (MgSO4), evapn., chromy. (SiO2, hexanes/EtOAc=15:1); elem. anal.;	A 83% B 9%

...Expand

: 5707-04-0
Phenylselenyl chloride

: 5018-30-4
dimethyl methoxymalonate

: dimethyl 2-methoxy-2-phenylselenopropanedioate

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 0 - 20℃; for 2h;	82%

: 5018-30-4
dimethyl methoxymalonate

: 922-67-8
propynoic acid methyl ester

: 603-35-0
triphenylphosphine

: trimethyl 3-(1,1,1-triphenyl-λ5-phosphanylidene)-1-propene-1,1,2-tricarboxylate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 24h;	82%

...Expand

: 5018-30-4
dimethyl methoxymalonate

: 536-74-3
phenylacetylene

: 2-methoxy-2-(1-phenylvinyl)malonic acid dimethyl ester

Conditions

Conditions	Yield
With indium(III) chloride at 140℃;	81%

: 5018-30-4
dimethyl methoxymalonate

: 603-35-0
triphenylphosphine

: 762-21-0
acetylenedicarboxylic acid diethyl ester

: 2,2-diethyl 1,1-dimethyl 3-(1,1,1-triphenyl-λ5-phosphanylidene)-1-propene-1,1,2,3-tetracarboxylate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 24h;	81%

...Expand

: 1023648-20-5
3-[3-(benzyloxy)phenylthio]-6-vinyl-1-chlorobenzene

: 5018-30-4
dimethyl methoxymalonate

: 1023648-23-8
2-(2-{4-[3-(benzyloxy)phenylthio]-2-chlorophenyl}ethyl)-2-methoxymalonic acid dimethyl ester

Conditions

Conditions	Yield
Stage #1: dimethyl methoxymalonate With caesium carbonate In dimethyl sulfoxide at 20℃; for 0.5h; Stage #2: 3-[3-(benzyloxy)phenylthio]-6-vinyl-1-chlorobenzene In dimethyl sulfoxide at 20 - 35℃; Further stages.;	79%

Propanedioic acid,2-methoxy-, 1,3-dimethyl ester Specification

The Propanedioic acid,2-methoxy-, 1,3-dimethyl ester, with the CAS registry number 5018-30-4 and EINECS registry number 225-697-0, has the systematic name of dimethyl methoxypropanedioate. It is a kind of clear colourless liquid after melting, and should be stored at 0-6°C. And the molecular formula of the chemical is C₆H₁₀O₅.

The characteristics of Propanedioic acid,2-methoxy-, 1,3-dimethyl ester are as followings: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 44.45; (8)ACD/KOC (pH 7.4): 44.45; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 35.09 cm³; (15)Molar Volume: 141.2 cm³; (16)Polarizability: 13.91×10^-24cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.147 g/cm³; (19)Flash Point: 107.8 °C; (20)Enthalpy of Vaporization: 45.22 kJ/mol; (21)Boiling Point: 215.8 °C at 760 mmHg; (22)Vapour Pressure: 0.145 mmHg at 25°C.

Uses of Propanedioic acid,2-methoxy-, 1,3-dimethyl ester: It can react with benzeneselenenyl chloride to produce 2-methoxy-2-phenylselanyl-malonic acid dimethyl ester. This reaction will need reagent NEt₃, and the menstruum tetrahydrofuran. The reaction time is 2 hours with temperature of 0-20°C, and the yield is about 82%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Avoid contact with skin and eyes; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C(OC)C(=O)OC
(2)InChI: InChI=1/C6H10O5/c1-9-4(5(7)10-2)6(8)11-3/h4H,1-3H3
(3)InChIKey: ORXJMBXYSGGCHG-UHFFFAOYAR

Product Name

DIMETHYL METHOXYMALONATE

Synthetic route

Propanedioic acid,2-methoxy-, 1,3-dimethyl ester Specification

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