Ethyl 2-acetyl-3-methylbutanoate

Base Information Edit

Chemical Name:Ethyl 2-acetyl-3-methylbutanoate
CAS No.:1522-46-9
Deprecated CAS:152548-74-8
Molecular Formula:C9H16O3
Molecular Weight:172.224
Hs Code.:2918300090
European Community (EC) Number:216-192-6
NSC Number:241511,54978,25315,18754
DSSTox Substance ID:DTXSID60870882
Nikkaji Number:J80.222K
Mol file:1522-46-9.mol

Synonyms:Ethyl 2-acetyl-3-methylbutanoate;1522-46-9;Ethyl 2-isopropylacetoacetate;2-Isopropylacetoacetic acid ethyl ester;Ethyl 2-iso-propylacetoacetate;ethyl 2-acetyl-3-methyl-butanoate;Butanoic acid, 2-acetyl-3-methyl-, ethyl ester;Ethyl alpha-isopropylacetoacetate;Ethyl 2-acetyl-3-methylbutyrate;Acetoacetic acid, 2-isopropyl-, ethyl ester;152548-74-8;Ethyl .alpha.-isopropylacetoacetate;EINECS 216-192-6;NSC 18754;NSC 25315;NSC 54978;AI3-11197;ethyl isopropylaceto-acetate;ghl.PD_Mitscher_leg0.994;SCHEMBL1919905;DTXSID60870882;Ethyl 2- acetyl-3-methylbutanoate;NSC18754;NSC25315;NSC54978;MFCD00042884;NSC-18754;NSC-25315;NSC-54978;NSC241511;STL185654;AKOS009157668;FS-4240;Isovaleric acid, a-acetyl, ethyl ester;NSC-241511;2-Acetyl-3-methylbutyric Acid Ethyl Ester;2-acetyl-3-methyl-butyric acid ethyl ester;CS-0216962;E1119;FT-0652418;EN300-65034;F21372;J-008907;Ethyl 2-isopropylacetoacetate, technical, >=90% (GC)

Suppliers and Price of Ethyl 2-acetyl-3-methylbutanoate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Ethyl 2-Isopropylacetoacetate
1g
$ 403.00

TCI Chemical
Ethyl 2-Isopropylacetoacetate >94.0%(GC)
5mL
$ 105.00

TCI Chemical
Ethyl 2-Isopropylacetoacetate >94.0%(GC)
25mL
$ 349.00

Sigma-Aldrich
Ethyl 2-isopropylacetoacetate technical, ≥90% (GC)
25ml-f
$ 208.00

Medical Isotopes, Inc.
Ethyl 2-isopropylacetoacetate
1 g
$ 610.00

Matrix Scientific
Ethyl 2-isopropylacetoacetate 97%
10g
$ 440.00

Matrix Scientific
Ethyl 2-isopropylacetoacetate 97%
50g
$ 1098.00

Crysdot
Ethyl2-acetyl-3-methylbutanoate 95+%
5g
$ 85.00

American Custom Chemicals Corporation
ETHYL 2-ISOPROPYLACETOACETATE 95.00%
5G
$ 912.29

American Custom Chemicals Corporation
ETHYL 2-ISOPROPYLACETOACETATE 95.00%
2.5G
$ 796.77

Total 40 raw suppliers

Chemical Property of Ethyl 2-acetyl-3-methylbutanoate Edit

Chemical Property:

Appearance/Colour:Clear, colorless liquid.
Vapor Pressure:0.229mmHg at 25°C
Melting Point:-20oC
Refractive Index:n20/D 1.425
Boiling Point:207.1 °C at 760 mmHg
PKA:12.28±0.46(Predicted)
Flash Point:78.9 °C
PSA：43.37000
Density:0.965 g/cm³
LogP:1.41070
Storage Temp.:2-8°C
Solubility.:Chloroform, Ethyl Acetate
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:172.109944368
Heavy Atom Count:12
Complexity:173

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-Isopropylacetoacetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 23-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(C)C)C(=O)C
Uses Ethyl 2-Isopropylacetoacetate is a reactant in the preparation of nonracemic arylhydroxymethylpyrrolidinylmethylphenyl thiazoleacetamides and cyclopentathiazolecarboxamides as conformationally restricted β3-adrenoceptor agonists as a potential treatment for overactive bladder.

Technology Process of Ethyl 2-acetyl-3-methylbutanoate

There total 18 articles about Ethyl 2-acetyl-3-methylbutanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%