ethyl 4,4,4-trimethylacetoacetate

Names

[ Name ]:
ethyl 4,4,4-trimethylacetoacetate

[Synonym ]:
Valeric acid, 4,4-dimethyl-3-oxo-, ethyl ester
Ethyl-3-oxo-4,4-dimethylpentanoate
Ethyl Pivaloylacetate
Pivaloylacetic Acid Ethyl Ester
Ethyl 4,4-DiMethyl-3-oxovalerate
Ethyl 4,4-dimethyl-3-oxopentanoate
ethyl 4,4,4-trimethylacetoacetate
Pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester
4,4-Dimethyl-3-oxopentanoic acid ethyl ester,Ethyl 4,4-dimethyl-3-oxopentanoate
EINECS 241-162-4
MFCD00042886
4,4-Dimethyl-3-oxovaleric Acid Ethyl Ester
Ethyl 4,4-dimethyl-3-oxo-pentanoate

Biological Activity

[Description]:

Ethyl pivaloylacetate is a β-ketoester. Ethyl pivaloylacetate can be uesd as the substrate to evaluate the activity and stereoselectivity of the ketoreductase tool-box[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[In Vitro]

Ethyl pivaloylacetate (compound 5) is the substrate to determine the activities of the ketoreductases by spectrophotometrically measuring the oxidation of NADPH[1].

[References]

[1]. Zhu D, et, al. A recombinant ketoreductase tool-box. Assessing the substrate selectivity and stereoselectivity toward the reduction of β-ketoesters. Tetrahedron. 2006 Jan; 62 (5): 901-905.

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
198.9±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C₉H₁₆O₃

[ Molecular Weight ]:
172.221

[ Flash Point ]:
74.1±18.5 °C

[ Exact Mass ]:
172.109940

[ PSA ]:
43.37000

[ LogP ]:
1.94

[ Vapour Pressure ]:
0.4±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.426

MSDS

Click to get detail MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%