| Identification | More | [Name]
Methyl 3-oxovalerate | [CAS]
30414-53-0 | [Synonyms]
3-KETO-N-VALERIC ACID METHYL ESTER
3-KETOVALERIC ACID METHYL ESTER
3-OXOPENTANOIC ACID METHYL ESTER
3-OXOVALERIC ACID METHYL ESTER
METHYL 3-OXOPENTANOATE
METHYL 3-OXOVALERATE
METHYL PROPIONYLACETATE
MOP
PEM
PROPIONYLACETIC ACID METHYL ESTER
3-oxo-methylvalerate
Methy3-oxo-valerate
Methyl 3-oxo-n-valerate
Methyl beta-ketovalerate
methyl3-0xopentanoate
Valeric acid, 3-oxo-, methyl ester
Methylpropionlyacetate
Methyl propionylacetate Methyl 3-oxoval erate
METHYL 3-OXOVALERATE, WACKER QUALITY
Methyl-3-Oxo-Pentanoate99% | [EINECS(EC#)]
250-184-3 | [Molecular Formula]
C6H10O3 | [MDL Number]
MFCD00011705 | [Molecular Weight]
130.14 | [MOL File]
30414-53-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to slightly yellow liquid | [Melting point ]
-35 °C | [Boiling point ]
73-74 °C5 mm Hg(lit.) | [density ]
1.037 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.422(lit.)
| [Fp ]
71 °C
| [storage temp. ]
Store below +30°C. | [solubility ]
Chloroform | [form ]
Liquid | [pka]
10.56±0.46(Predicted) | [color ]
Clear colorless to slightly yellow | [Specific Gravity]
1.05 | [Water Solubility ]
SLIGHTLY SOLUBLE | [BRN ]
1753684 | [InChIKey]
XJMIXEAZMCTAGH-UHFFFAOYSA-N | [CAS DataBase Reference]
30414-53-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Pentanoic acid, 3-oxo-, methyl ester(30414-53-0) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H227 | [Precautionary statements ]
P210e-P280a-P370+P378a-P403+P235-P501a | [Hazard Codes ]
F,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [Hazard Note ]
Flammable | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
29183000 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Ammonium hydroxide-->Ammonium chloride-->Methyl acetoacetate-->2-Pentenoic acid, 3-amino-, methyl ester, (2Z)--->Hexanoicacid, 2,4-dioxo-, methyl ester-->Methyl malonyl chloride-->3-OxopentanoicAcid-->5-(1-hydroxypropylidene)-2,2-diMethyl-1,3-dioxane-4,6-dione-->Methyl 2-pentynoate-->ethylmagnesium iodide-->2,2-diMethyl-5-propanoyl-1,3-dioxane-4,6-dione-->Potassium 3-methoxy-3-oxopropanoate-->Methyl cyanoacetate-->2-Butanone | [Preparation Products]
2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid-->4-Ethyl-6-hydroxy-2-methylpyrimidine-->2-(2,5-Dimethyl-1,3-thiazol-4-yl)acetic acid-->Methyl 2-(2,5-dimethyl-1,3-thiazol-4-yl)acetate-->Methyl 4-bromo-3-oxopentanoate-->2-Ethyl-4-methylquinoline-3-carboxylic acid-->TAK-441-->methyl 3-oxohept-6-ynoate |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to slightly yellow liquid | [Uses]
Methyl 3-oxovalerate is used in the synthesis of anti-Perol stereospecific reductases that can be used in the asymmettric and environmentally friendly reduction of ketones.
| [Uses]
Methyl Propionylacetate is used in the synthesis of anti-Perol stereospecific reductases that can be used in the asymmettric and environmentally friendly reduction of ketones. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 92, p. 6702, 1970 DOI: 10.1021/ja00725a088
The Journal of Organic Chemistry, 43, p. 2087, 1978 DOI: 10.1021/jo00404a066 | [Synthesis]
The general procedure for synthesizing methyl 3-oxovalerate from propionyl chloride was as follows: in a mixed solvent of 520 mL of methylene chloride and 30 mL of methyl ethyl ketone, 116 g (1.0 mol) of methyl acetoacetate, 77.8 g (1.05 mol) of calcium hydroxide, and 106.5 g (1.15 mol) of propionyl chloride were added, and the reaction conditions were the same as those in Example 1. After completion of the reaction, the pH of the reaction mixture was adjusted with ammonia to 9.1. 117 g of methyl 3-oxovalerate was finally obtained, which was analyzed by gas chromatography (GC) with a purity of 79.0% and a yield of 71.0%. | [References]
[1] Patent: US5194671, 1993, A |
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