Methyl 3,3-dimethoxypropionate supplier

Name
METHYL 3,3-DIMETHOXYPROPIONATE
EINECS 231-055-0
CAS No. 7424-91-1
Article Data35
CAS DataBase
Density 1.027 g/cm³
Solubility
Melting Point
Formula C₆H₁₂O₄
Boiling Point 178.8 °C at 760 mmHg
Molecular Weight 148.159
Flash Point 65.6 °C
Transport Information
Appearance Clear colorless liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Malonaldehydicacid, methyl ester dimethyl acetal (7CI,8CI);Propionic acid, 3,3-dimethoxy-,methyl ester (8CI);3,3-Dimethoxypropionic acid methyl ester;Methyl3,3-bis(methoxy)propanoate;Methyl 3,3-dimethoxypropanoate;Methyl3,3-dimethoxypropionate;Methyl formylacetate dimethyl acetal;Methyl b,b-dimethoxypropionate;NSC 92715;
PSA 44.76000
LogP 0.16840

Synthetic route

: 67-56-1
methanol

: 1865-13-0
(E)-β-methoxycarbonylvinyl phenyl sulphone

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With sodium for 0.25h;	100%

: 67-56-1
methanol

: 292638-85-8
acrylic acid methyl ester

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With methanesulfonic acid; Pd(OAc)2 on carbon; Pd(OAc)2 on carbon - molybdovanadophosphate; oxygen at 50℃; under 760.051 Torr; for 8h; Oxidation; Addition;	95%
With N,N,N,N,N,N-hexamethylphosphoric triamide; oxygen; copper(l) chloride; dichloro bis(acetonitrile) palladium(II) In 1,2-dimethoxyethane at 50℃; for 5.5h; Product distribution; absence of hexamethylphosphoric triamide, other additives;	92%
With N,N,N,N,N,N-hexamethylphosphoric triamide; oxygen; copper(l) chloride; dichloro bis(acetonitrile) palladium(II) In 1,2-dimethoxyethane at 50℃; for 5.5h;	92%

: 1,1,1-trichloro-4-methoxy-3-buten-2-one

: 67-56-1
methanol

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With potassium hydride at 10 - 50℃; for 12h; Concentration; Temperature;	93.5%
With potassium carbonate at 0 - 30℃; for 12h; Reagent/catalyst;	81%
With potassium carbonate at 20℃; for 10.5h; Cooling with ice;

: 167386-80-3
trimethyl trans-3-methoxyorthoacrylate

: 149-73-5
trimethyl orthoformate

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 100℃; for 2h;	91%

: 98014-02-9
3-(Acetyl-isopropyl-amino)-3-methoxy-propionic acid methyl ester

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In methanol for 2.5h; Heating;	90%

: 67-56-1
methanol

: 116140-91-1
(E)-1,1,1-trichloro-4-methoxybut-3-en-2-one

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With potassium carbonate for 10h; Ambient temperature;	80%

: 67-56-1
methanol

: 922-67-8
propynoic acid methyl ester

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 5739-81-1
methyl (Z)-β-methoxyacrylate

Conditions

Conditions	Yield
With silver trifluoromethanesulfonate at 70℃; for 20h;	A 4% B 78%

...Expand

: 67-56-1
methanol

: 922-67-8
propynoic acid methyl ester

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With tributylphosphine In methanol at 20℃; for 168h;	71%

: 67-56-1
methanol

: 1165952-92-0
cyclohexa-1,4-diene

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 102-52-3
malonaldehydebis(dimethylacetal)

C: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; ozone -40 deg C, then ca. 30 min reflux; Yields of byproduct given;	A 60% B n/a C n/a
With hydrogenchloride; ozone at -40℃; -40 deg C, then ca. 30 min reflux; Yield given;	A 60% B n/a C n/a
With hydrogenchloride; ozone at -40℃; Product distribution;	A 60% B n/a C n/a

...Expand

: 623-43-8, 4358-59-2, 18707-60-3, 130981-57-6
methyl crotonate

: 40789-98-8
3-mercapto-2-butanone

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 14559-13-8
methyl 4,5-dimethylthiophene-3-carboxylate

Conditions

Conditions	Yield
Stage #1: methyl crotonate; 3-mercapto-2-butanone With sodium methylate In toluene at 15 - 30℃; Industrial scale; Stage #2: With hydrogenchloride In water; toluene Industrial scale;	A n/a B 29.8%

...Expand

: 3,3-dimethoxypropionimidate hydrochloride

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With methanol In hexane for 72h; Ambient temperature;	18%

: 67-56-1
methanol

: 624-45-3
levulinic acid methyl ester

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 79-20-9
acetic acid methyl ester

C: 3852-09-3
methyl 3-methoxypropionate

D: 108-59-8
malonic acid dimethyl ester

E: 106-65-0
Dimethyl succinate

Conditions

Conditions	Yield
With dihydrogen peroxide; toluene-4-sulfonic acid In water at 80℃; for 6h; Reagent/catalyst; Solvent; Baeyer-Villiger Ketone Oxidation; Overall yield = 22 %;	A 13% B n/a C n/a D 8% E n/a

...Expand

: 67-56-1
methanol

: 34780-29-5
3-oxo-propionic acid ethyl ester

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With hydrogenchloride at -5℃;

: 124-41-4
sodium methylate

: 616-38-6
carbonic acid dimethyl ester

: 74-86-2
acetylene

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
at 80 - 85℃;

...Expand

: 67-56-1
methanol

: 3510-44-9
methyl cis-2-chloroacrylate

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With potassium methanolate

: 34846-90-7
methyl 3-methoxyprop-2-enoate

: 124-41-4
sodium methylate

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With N-Phenyl-2-naphthylamine

: 124-41-4
sodium methylate

: 922-67-8
propynoic acid methyl ester

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 67-56-1
methanol

: 1116-86-5
1,1,5,5-tetramethoxy-pent-2-ene

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 2517-44-4
1,2-dimethoxy 1,2-dimethoxy-ethane

C: 89-91-8
Methyl dimethoxyacetate

Conditions

Conditions	Yield
With hydrogenchloride; ozone 1.) -40 deg C, 2.) reflux, 1 h; Yield given. Multistep reaction;
With hydrogenchloride; reflux; ozone

...Expand

: 67-56-1
methanol

: 29311-53-3
(E)-3-hexene-1,6-dioic acid

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 67-56-1
methanol

: 41527-39-3
dimethyl (2E)-pent-2-enedioate

A: 553-90-2
Dimethyl oxalate

B: 7424-91-1
methyl 3,3-dimethoxypropionate

C: 89-91-8
Methyl dimethoxyacetate

D: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; ozone 1.) -40 deg C, 2.) reflux, 1 h; Yield given. Multistep reaction;
With hydrogenchloride; reflux; ozone

...Expand

: 67-56-1
methanol

: 25126-93-6
dimethyl trans-3-hexene-1,6-dioate

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 108-59-8
malonic acid dimethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; ozone 1.) -40 deg C, 2.) reflux, 1 h; Yield given. Multistep reaction;
With hydrogenchloride; reflux; ozone

...Expand

: 67-56-1
methanol

: 112-63-0
Methyl linoleate

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 1599-47-9
1,1-dimethoxyhexane

C: 1732-10-1
Dimethyl azelate

D: 1599-48-0
9,9-bis(methoxy)nonanoic acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride; ozone 1.) 0 deg C, 2.) reflux, ca. 30 min; Yield given. Multistep reaction. Further byproducts given;
With hydrogenchloride; ozone 1.) 0 deg C, 2.) reflux, ca. 30 min; Multistep reaction. Further byproducts given;

...Expand

: 67-56-1
methanol

: 301-00-8
methyl linolenate

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 4744-10-9
dimethoxypropane

C: 1732-10-1
Dimethyl azelate

D: 1599-48-0
9,9-bis(methoxy)nonanoic acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride; ozone 1.) 0 deg C, 2.) reflux, ca. 30 min; Yield given. Multistep reaction. Further byproducts given;
With hydrogenchloride; ozone 1.) 0 deg C, 2.) reflux, ca. 30 min; Multistep reaction. Further byproducts given;

...Expand

: 67-56-1
methanol

: 1165952-92-0
cyclohexa-1,4-diene

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 70354-00-6
(Z)-3-hexenedioic acid dimethyl ester

C: 123331-74-8
1,1,3,6,6-Pentamethoxyhexan

D: 123331-76-0
4,6,6-Trimethoxyhexansaeure-methylester

E: 123331-77-1
(Z)-1,1,6,6-Tetramethoxy-3-hexen

F: 123331-78-2
(Z)-6,6-Dimethoxy-3-hexensaeure-methylester

Conditions

Conditions	Yield
With hydrogenchloride; ozone at -40℃; for 0.583333h; Product distribution; further products were isolated;

...Expand

: 67-56-1
methanol

: 1165952-92-0
cyclohexa-1,4-diene

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 70354-00-6
(Z)-3-hexenedioic acid dimethyl ester

C: 123331-74-8
1,1,3,6,6-Pentamethoxyhexan

D: 123331-78-2
(Z)-6,6-Dimethoxy-3-hexensaeure-methylester

Conditions

Conditions	Yield
With hydrogenchloride; ozone at -40℃; for 0.583333h;

...Expand

: 67-56-1
methanol

: 1165952-92-0
cyclohexa-1,4-diene

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 70354-00-6
(Z)-3-hexenedioic acid dimethyl ester

C: 123331-76-0
4,6,6-Trimethoxyhexansaeure-methylester

D: 123331-78-2
(Z)-6,6-Dimethoxy-3-hexensaeure-methylester

Conditions

Conditions	Yield
With hydrogenchloride; ozone -40 deg C, then 3 d at room temp.;
With hydrogenchloride; ozone at -40℃; for 0.583333h;

...Expand

: 67-56-1
methanol

: 1165952-92-0
cyclohexa-1,4-diene

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 70354-00-6
(Z)-3-hexenedioic acid dimethyl ester

C: 123331-77-1
(Z)-1,1,6,6-Tetramethoxy-3-hexen

D: 123331-78-2
(Z)-6,6-Dimethoxy-3-hexensaeure-methylester

Conditions

Conditions	Yield
With hydrogenchloride; ozone Yield given. Multistep reaction;
With hydrogenchloride; ozone -40 deg C, then 3 d at room temp.;

...Expand

: 67-56-1
methanol

: 123331-77-1
(Z)-1,1,6,6-Tetramethoxy-3-hexen

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 102-52-3
malonaldehydebis(dimethylacetal)

Conditions

Conditions	Yield
With hydrogenchloride; ozone 1.) -40 deg C, 2.) reflux, 1 h; Yield given. Multistep reaction;
With hydrogenchloride; reflux; ozone

...Expand

: 67-56-1
methanol

: 292638-85-8
acrylic acid methyl ester

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 5788-17-0
methyl (2E)-3-methoxy-2-propenoate

C: 3852-09-3
methyl 3-methoxypropionate

Conditions

Conditions	Yield
With supercritical CO2; oxygen; copper dichloride; palladium dichloride at 40℃; for 12h; Product distribution; various catalysts and temperatures;
With supercritical CO2; oxygen; copper dichloride; palladium dichloride at 40℃; for 12h;	A 91.7 % Chromat. B 1.2 % Chromat. C 2.0 % Chromat.
With supercritical CO2; oxygen; dichloro bis(acetonitrile) palladium(II); copper dichloride at 50℃; for 12h;	A 81.1 % Chromat. B 8.8 % Chromat. C 3.5 % Chromat.
With supercritical CO2; oxygen; copper dichloride; palladium dichloride at 50℃; for 12h;	A 42.9 % Chromat. B 3.1 % Chromat. C 6.6 % Chromat.

...Expand

: 124-41-4
sodium methylate

: 616-38-6
carbonic acid dimethyl ester

: 74-86-2
acetylene

A: 7424-91-1
methyl 3,3-dimethoxypropionate

B: 34846-90-7
methyl 3-methoxyprop-2-enoate

C: 2215-04-5
dimethoxysuccinate de methyle

D methoxymaleic acid dimethyl ester: methoxymaleic acid dimethyl ester

Conditions

Conditions	Yield
at 80℃;

...Expand

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 6191-98-6
3,3-dimethoxypropionic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 20℃; for 1.5h;	100%
With water; sodium hydroxide at 110℃; for 0.5h; Inert atmosphere;	95%
With lithium hydroxide In tetrahydrofuran; methanol; water Inert atmosphere;	95%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 107-31-3
Methyl formate

: sodium 2-(dimethoxymethyl)-3-methoxy-3-oxoprop-1-en-1-olate

Conditions

Conditions	Yield
With sodium hydride In 1,2-dimethoxyethane; mineral oil at -5 - 50℃; for 17h;	100%
With sodium hydride In 1,2-dimethoxyethane; mineral oil at 20 - 45℃; Inert atmosphere; Cooling with ice;	83%
With sodium hydride In 1,2-dimethoxyethane at 0 - 50℃; for 20h;	73%

: 121-30-2
chloraminophenamide

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 2H-1,2,4-benzothiadiazine-7-(aminosulfonyl)-6-chloro-3,4-dihydro-1,1-dioxide-3-acetic acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane; water at 40 - 90℃; for 0.5h;	100%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 5-fluoro-2-iodoaniline

: N-(5-fluoro-2-iodophenyl)-3,3-dimethoxypropanamide

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In tetrahydrofuran at 0 - 20℃; for 1.5h; Inert atmosphere;	100%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 92403-95-7
3-hydroxy-1,1-dimethoxy-propane

Conditions

Conditions	Yield
Stage #1: methyl 3,3-dimethoxypropionate With lithium aluminium tetrahydride In diethyl ether at 0℃; for 1h; Stage #2: With water; sodium hydroxide In diethyl ether for 1h;	99%
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 1h;	95%

: 621-23-8
1,2,3-trimethoxybenzene

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 115130-74-0
(E)-3-(2,4,6-trimethoxy-phenyl)-acrylic acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride In water; acetic acid at 25℃; for 1h; Product distribution / selectivity;	98%

: 147677-00-7
5-(5-amino-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-pyrimidin-7-one

: 7424-91-1
methyl 3,3-dimethoxypropionate

: methyl 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)anilino]propanoate

Conditions

Conditions	Yield
With triethylsilane; trifluoroacetic acid In dichloromethane at 20℃; Inert atmosphere;	98%
With triethylsilane; trifluoroacetic acid In dichloromethane at 20℃; Inert atmosphere;	98%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 19501-58-7
4-methoxyphenylhydrazine hydrochloride

: 172595-68-5
methyl 5-methoxy-1H-indole-3-carboxylate

Conditions

Conditions	Yield
With acetic acid at 70℃; for 4.5h;	97%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 925-90-6
ethylmagnesium bromide

: 832142-15-1
1-(2,2-dimethoxyethyl)cyclopropan-1-ol

Conditions

Conditions	Yield
titanium(IV) isopropylate In diethyl ether at 25℃; for 18h; Kulinkovich reaction;	96%
Stage #1: methyl 3,3-dimethoxypropionate With titanium(IV) isopropylate In tetrahydrofuran; diethyl ether at 0℃; for 0.166667h; Stage #2: ethylmagnesium bromide In tetrahydrofuran; diethyl ether at 10 - 25℃; for 0.5h;	89%
With titanium(IV) isopropylate In tetrahydrofuran; diethyl ether at 0 - 20℃; for 8h; Inert atmosphere;

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 5,7-dfluoro-2-(4-fluorophenyl)-1H-indole

: methyl (E)-3-[5,7-dfluoro-2-(4-fluorophenyl)-1H-indol-3-yl]prop-2-enoate

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane for 4h; Reflux;	96%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: C25H42O8

: C29H46O10

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 1.5h;	94%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 93957-49-4
3-(4'-fluorophenyl)-1-(1'-methylethyl)-1H-indole

: methyl trans-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]acrylate

Conditions

Conditions	Yield
With water; trichlorophosphate In acetic acid at 25℃; for 9h; Product distribution / selectivity;	93%
With water; trichlorophosphate In acetonitrile at 50℃; for 18h;	53 % Chromat.

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 1379822-72-6
C18H20O4S

: (±)-(1α,6β)-3β-methyl-7β-(4-benzenesulfonyloxyphenyl)-2,8-dioxabicyclo[4.4.0]decan-9-one

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In dichloromethane at -30℃; for 1h; Inert atmosphere;	93%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 34846-90-7
methyl 3-methoxyprop-2-enoate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 160℃; for 7.5h;	91%
methanesulfonic acid at 160℃; for 6h; Product distribution / selectivity;	85%
With potassium hydrogensulfate at 150 - 160℃; for 4h; Reagent/catalyst;	82%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 107-31-3
Methyl formate

: sodium (1Z)-2-(dimethoxymethyl)-3-methoxy-3-oxoprop-1-en-1-olate

Conditions

Conditions	Yield
With sodium hydride In 1,2-dimethoxyethane at 0 - 35℃; for 16.5h;	90%
Stage #1: methyl 3,3-dimethoxypropionate With sodium hydride In 1,2-dimethoxyethane; mineral oil at 40 - 50℃; for 0.5h; Stage #2: Methyl formate In 1,2-dimethoxyethane; mineral oil at 0 - 50℃;	61%
Stage #1: methyl 3,3-dimethoxypropionate With sodium hydride In 1,2-dimethoxyethane; mineral oil at 40 - 50℃; for 0.5h; Stage #2: Methyl formate In 1,2-dimethoxyethane; mineral oil at 40 - 50℃; for 2h;	61%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 1003-99-2
2-bromo-5-fluoroaniline

: N-(2-bromo-5-fluorophenyl)-3,3-dimethoxypropanamide

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In tetrahydrofuran at 0 - 15℃; for 18h; Inert atmosphere;	90%
With sodium hexamethyldisilazane In tetrahydrofuran; 2-methyltetrahydrofuran at 0 - 22℃; for 16h;
With sodium hexamethyldisilazane In tetrahydrofuran at 0 - 15℃; for 18h;
With sodium hexamethyldisilazane In tetrahydrofuran at 0 - 15℃; for 18h;
With sodium hexamethyldisilazane In tetrahydrofuran at 0 - 15℃; for 18.1667h;	100 mg

: 7424-91-1
methyl 3,3-dimethoxypropionate

: 63160-41-8
1-aminocarbonyl-3-methyl-4-methoxycarbonyl-1,2-diaza-1,3-diene

: dimethyl 1-[(aminocarbonyl)amino]-2-methyl-1H-pyrrole-3,4-dicarboxylate

Conditions

Conditions	Yield
Stage #1: methyl 3,3-dimethoxypropionate With Dowex 50W In water at 20℃; for 24h; Stage #2: 1-aminocarbonyl-3-methyl-4-methoxycarbonyl-1,2-diaza-1,3-diene With Duolite A 102 In water at 20℃; for 10h; Further stages.;	89%

: 7424-91-1
methyl 3,3-dimethoxypropionate

: C6H5BrN4

: C11H13BrN4O3

Conditions

Conditions	Yield
With potassium hydride In tetrahydrofuran at 0 - 25℃; for 5.5h; Reagent/catalyst;	88.4%

: 42602-67-5
N-(thiophen-3-yl)acetamide

: 7424-91-1
methyl 3,3-dimethoxypropionate

: (E)-3-(3-Acetylamino-thiophen-2-yl)-acrylic acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane for 2h; Ambient temperature;	88%

: 7424-91-1
methyl 3,3-dimethoxypropionate

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane at 95℃; for 1h; Inert atmosphere;	88%
With hydrogenchloride In 1,4-dioxane at 95℃; for 1h; Inert atmosphere;	88%

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 0 - 25℃; for 5.5h;	87.8%

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 80℃; for 6h;	87%

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 40℃; for 3h;	86%

Conditions

Conditions	Yield
With sodium In diethyl ether for 48h; Ambient temperature;	85%

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 24h;	85%
With trifluoroacetic acid In dichloromethane at 20℃; for 8h; Inert atmosphere;

Methyl 3,3-dimethoxypropionate Specification

The IUPAC name of this chemical is methyl 3,3-dimethoxypropanoate. With the CAS registry number 7424-91-1, it is also named as propanoic acid, 3,3-dimethoxy-, methyl ester. The product's categories are C6 to C7; Carbonyl Compounds; Esters. It is clear colorless liquid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.89; (6)ACD/BCF (pH 7.4): 1.89; (7)ACD/KOC (pH 5.5): 54.89; (8)ACD/KOC (pH 7.4): 54.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.401; (13)Molar Refractivity: 35.07 cm³; (14)Molar Volume: 144.1 cm³; (15)Polarizability: 13.9×10^-24 cm³; (16)Surface Tension: 28.2 dyne/cm; (17)Enthalpy of Vaporization: 41.51 kJ/mol; (18)Vapour Pressure: 0.971 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 148.073559; (21)MonoIsotopic Mass: 148.073559; (22)Topological Polar Surface Area: 44.8; (23)Heavy Atom Count: 10; (24)Complexity: 97.9.

Preparation of Methyl 3,3-dimethoxypropionate: It can be obtained by methanol and trans-Methyl-b-benzolsulfonyl-acrylat. This reaction needs reagent sodium. The reaction time is 15 min. The yield is 100%.

Uses of Methyl 3,3-dimethoxypropionate: It can react with 2,4-bis-trimethylsilanyloxy-pyrimidine to get (1'RS)-1-(1'-Methoxy-2'-methoxycarbonylethyl)uracil. This reaction needs reagent trimethylsilyl trifluoromethanesulfonate and solvent CH₂Cl₂ at temperature of -30 °C. The yield is 56%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)CC(OC)OC
2. InChI:InChI=1/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3
3. InChIKey:SMCVPMKCDDNUCQ-UHFFFAOYAI
4. Std. InChI:InChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3
5. Std. InChIKey:SMCVPMKCDDNUCQ-UHFFFAOYSA-N

Product Name

METHYL 3,3-DIMETHOXYPROPIONATE

Synthetic route

Methyl 3,3-dimethoxypropionate Specification

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