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| CAS No.: | 600-22-6 |
|---|---|
| Name: | Methyl pyruvate |
| Article Data: | 72 |
| Molecular Structure: | |
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| Formula: | C4H6O3 |
| Molecular Weight: | 102.09 |
| Synonyms: | Pyruvicacid, methyl ester (6CI,7CI,8CI);2-Oxo-propionic acid methyl ester;2-Oxopropanoic acid methyl ester;Methyl 2-oxopropanoate;Methyl2-oxopropionate;Methyl acetoformate;Methyl pyroracemate;Methyl pyruvate;Methylglyoxylic acid methyl ester;NSC 65430;Pyroracemic acid methyl ester; |
| EINECS: | 209-987-4 |
| Density: | 1.072 g/cm3 |
| Melting Point: | -22 °C |
| Boiling Point: | 135.5 °C at 760 mmHg |
| Flash Point: | 39.4 °C |
| Solubility: | Soluble in chloroform, methanol, ether, alcohol. Slightly soluble in water. |
| Appearance: | Clear colourless to yellow liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 3272 3/PG 3 |
| PSA: | 43.37000 |
| LogP: | -0.25160 |
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| Conditions | Yield |
|---|---|
| With hydrogenchloride; zinc(II) nitrate; hydroxylamine hydrochloride; oxygen; copper(II) nitrate; sodium hydroxide at 100℃; under 75.0075 Torr; for 8h; Molecular sieve; Autoclave; Green chemistry; | 98.9% |
| With p-methoxybenzenetellurinic acid anhydride In neat (no solvent) at 130℃; for 1h; | 90% |
| With hydrogenchloride; sodium hypobromide In dichloromethane; water at 25℃; for 5h; | 90% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid at 83℃; Temperature; | 76.38% |
| With ethanesulfonic acid; 1,2-dichloro-ethane |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; acetic acid at 24.84℃; under 760.051 Torr; Kinetics; Mechanism; UV-irradiation; | A n/a B 76% |
| With ozone at 20.84℃; under 760 Torr; Kinetics; Darkness; | A 55% B 69% |
- 480-96-6
benzofurazan oxide
- 2605-68-7
methyl 2-(triphenylphosphoranylidene)propionate
A
- 273-09-6
benzofurazan
B
- 600-22-6
pyruvic acid methyl ester
| Conditions | Yield |
|---|---|
| In benzene for 6h; Heating; | A 45% B n/a |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; triethylamine; chromium(VI) oxide In acetonitrile at 40℃; for 20h; Product distribution; variation of catalyst, reagent, temperature, time; | 41% |
| With dihydrogen peroxide; triethylamine; chromium(VI) oxide In acetonitrile at 40℃; for 20h; | 41% |
| Stage #1: methacrylic acid methyl ester With cis-[Ru(2,9-Me2phen)2(OH2)2](PF6)2 In acetonitrile at 55℃; for 0.5h; Stage #2: With dihydrogen peroxide In acetonitrile for 8h; |
| Conditions | Yield |
|---|---|
| With carbon dioxide; 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-methoxyimidazolidine In tetrahydrofuran at 20℃; for 8h; Inert atmosphere; Sealed tube; | 10% |
| Conditions | Yield |
|---|---|
| With selenium(IV) oxide |
- 35356-70-8
Methyl 2-acetamidoacrylate
- 600-22-6
pyruvic acid methyl ester
| Conditions | Yield |
|---|---|
| With hydrogen bromide In chloroform |
- 91765-79-6
1,4-Bis-methoxycarbonyl-1,2,3,4-tetramethyl-butadien-1,3
- 600-22-6
pyruvic acid methyl ester
| Conditions | Yield |
|---|---|
| (i) O3, MeOH, (ii) H2, Pd-C; Multistep reaction; |
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Specification
The Propanoic acid, 2-oxo-,methyl ester, with the CAS registry number 600-22-6, is also known as 2-Oxopropanoic acid methyl ester. It belongs to the product category of Pyruvic Acid Series. Its EINECS number is 209-987-4. This chemical's molecular formula is C4H6O3 and molecular weight is 102.09. What's more, its systematic name is methyl 2-oxopropanoate. It can be used in organic synthesis. It should be sealed and stored in a cool and dry place.
Physical properties of Propanoic acid, 2-oxo-,methyl ester are: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): -0.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.01; (8)ACD/KOC (pH 7.4): 13.01; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.386; (14)Molar Refractivity: 22.38 cm3; (15)Molar Volume: 95.1 cm3; (16)Polarizability: 8.87×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 1.072 g/cm3; (19)Flash Point: 39.4 °C; (20)Enthalpy of Vaporization: 37.29 kJ/mol; (21)Boiling Point: 135.5 °C at 760 mmHg; (22)Vapour Pressure: 7.7 mmHg at 25°C.
Preparation: this chemical can be prepared by lactic acid methyl ester at the temperature of 25 °C. This reaction will need reagents NaOBr, HCl and solvents CH2Cl2, H2O with the reaction time of 5 hours. The yield is about 90%.
Uses of Propanoic acid, 2-oxo-,methyl ester: it can be used to produce 2-piperidin-1-yl-acrylic acid methyl ester. It will need reagent AsCl3 and solvent diethyl ether with the reaction time of 10 min. The yield is about 73%.
When you are using this chemical, please be cautious about it as the following:
It is flammable, so you should keep it away from sources of ignition - No smoking. You must not breathe vapour. When using it, you need avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)OC)C
(2)Std. InChI: InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
(3)Std. InChIKey: CWKLZLBVOJRSOM-UHFFFAOYSA-N