CAS No.89-91-8,Methyl dimethoxyacetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	89-91-8
Name:	Methyl dimethoxyacetate
Article Data:	35

Formula:	C₅H₁₀O₄
Molecular Weight:	134.132
Synonyms:	Aceticacid, dimethoxy-, methyl ester (9CI);Glyoxylic acid, methyl ester, 2-(dimethylacetal) (8CI);Glyoxylic acid, methyl ester, dimethyl acetal (6CI,7CI);2,2-Dimethoxyacetic acid methyl ester;Dimethoxyacetic acid methyl ester;Methyl 2,2-dimethoxyacetate;Methyl glyoxylatedimethyl acetal;
EINECS:	201-950-0
Density:	1.051 g/cm³
Boiling Point:	169.033 °C at 760 mmHg
Flash Point:	63.333 °C
Appearance:	Clear colourless to very slightly yellow liquid
Safety:	23-24/25
PSA:	44.76000
LogP:	-0.22170

Synthetic route

: 298-12-4
Glyoxilic acid

: 149-73-5
trimethyl orthoformate

: 89-91-8
Methyl dimethoxyacetate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 20℃; for 72h; Inert atmosphere;	97%
With hydrogenchloride In methanol for 48h; Heating;	85%
With toluene-4-sulfonic acid for 3h;	79%
With sulfuric acid In methanol for 18h; Time; Reflux;	59.8%
With toluene-4-sulfonic acid Inert atmosphere;

: 121-43-7
Trimethyl borate

: 603-34-9
N,N-diphenylaminobenzene

: 89-91-8
Methyl dimethoxyacetate

Conditions

Conditions	Yield
With lithium iodide In diphenylether

: 96-35-5
glycolic acid methyl ester

: 107-30-2
chloromethyl methyl ether

: 89-91-8
Methyl dimethoxyacetate

Conditions

Conditions	Yield
With triethylamine In dichloromethane

: 149-73-5
trimethyl orthoformate

: 563-96-2
2,2-dihydroxyacetic acid

: 89-91-8
Methyl dimethoxyacetate

Conditions

Conditions	Yield
With sulfuric acid In methanol for 18h; Heating;	46%

: 67-56-1
methanol

sodium dimethoxy acetate: sodium dimethoxy acetate

: 89-91-8
Methyl dimethoxyacetate

Conditions

Conditions	Yield
With hydrogenchloride

: 1069-12-1
1,1,2,2-tetramethoxyethylene

A: 67-56-1
methanol

B: 89-91-8
Methyl dimethoxyacetate

Conditions

Conditions	Yield
With water; perchloric acid In tetrahydrofuran at 25℃; Rate constant; Mechanism; isotope effect;
With water; cyanoacetic acid In tetrahydrofuran at 25℃; Rate constant; Mechanism;
With water; ClH2COOH In tetrahydrofuran at 25℃; Rate constant; Mechanism;

: 603-76-9
1-methylindole

: 13157-96-5
methyl 2-chloro-2-methoxyacetate

A: 89-91-8
Methyl dimethoxyacetate

B: 138197-76-9
methyl 2,2-bis(1-methyl-1H-indol-3-yl)acetate

C: 6637-11-2
1,1'-dimethyl-2',3'-dihydro-1H,1'H-2,3'-biindolyl

Conditions

Conditions	Yield
With zinc(II) chloride In tetrahydrofuran for 2h; Ambient temperature;	A 19% B 68% C 32%

...Expand

: 67-56-1
methanol

: 563-96-2
2,2-dihydroxyacetic acid

: 89-91-8
Methyl dimethoxyacetate

Conditions

Conditions	Yield
sulfuric acid for 5h; Heating;	58%

: 67-56-1
methanol

: 298-12-4
Glyoxilic acid

A: 89-91-8
Methyl dimethoxyacetate

B: 39140-61-9
2-hydroxy-2-methoxyacetic acid

Conditions

Conditions	Yield
In chloroform-d1 at 20℃;	A 6 %Spectr. B 37 %Spectr.

...Expand

: 67-56-1
methanol

: 20600-64-0
methyl ethylsulfenylacetate

: 89-91-8
Methyl dimethoxyacetate

Conditions

Conditions	Yield
With thallium(III) nitrate

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Specification

The Methyl dimethoxyacetate, with the CAS registry number 89-91-8, is also known as Acetic acid, dimethoxy-, methyl ester. Its EINECS registry number is 201-950-0. This chemical's molecular formula is C₅H₁₀O₄ and molecular weight is 134.13. What's more, its IUPAC name is called Methyl 2,2-dimethoxyacetate. It should be stored in a cool, dry and sealed place.

Physical properties about Methyl dimethoxyacetate are: (1)ACD/LogP: 0.321; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 35.63; (8)ACD/KOC (pH 7.4): 35.63; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.393; (14)Molar Refractivity: 30.437 cm³; (15)Molar Volume: 127.653 cm³; (16)Polarizability: 12.066×10^-24cm³; (17)Surface Tension: 27.577 dyne/cm; (18)Density: 1.051 g/cm³; (19)Flash Point: 63.333 °C; (20)Enthalpy of Vaporization: 40.546 kJ/mol; (21)Boiling Point: 169.033 °C at 760 mmHg; (22)Vapour Pressure: 1.573 mmHg at 25 °C.

Preparation of Methyl dimethoxyacetate: this chemical can be prepared by 1-methyl-indole with chloro-methoxy-acetic acid methyl ester. This reaction needs reagent ZnCl₂ and solvent tetrahydrofuran at ambient temperature. The reaction time is 2 hours. The yield is 68 %.

Methyl dimethoxyacetate can be prepared by 1-methyl-indole with chloro-methoxy-acetic acid methyl ester.

Uses of Methyl dimethoxyacetate: (1) it is used in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with acetic acid ethyl ester to get 4,4-dimethoxy-acetoacetic acid ethyl ester. The reaction occurs with reagent Na and other condition of heating.

Methyl dimethoxyacetate can react with acetic acid ethyl ester to get 4,4-dimethoxy-acetoacetic acid ethyl ester.

When you are dealing with this chemical, you should be very careful. You can not breathe the gas/fumes/vapour/spray. And you must avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)C(OC)OC
(2) InChI: InChI=1S/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3
(3) InChIKey: NZTCVGHPDWAALP-UHFFFAOYSA-N