BETA-OXO-CYCLOPROPANEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Base Information

• Chemical Name: BETA-OXO-CYCLOPROPANEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER
• CAS No.: 134302-07-1
• Molecular Formula: C10H16O3
• Molecular Weight: 184.235
• Mol file: 134302-07-1.mol

Synonyms:.tert-butyl 1-cyclopropyl-1-oxopropionate;.tert-butyl 3-oxo-3-cyclopropylpropionate;.Tert-butyl 3-cyclopropyl-3-oxopropanoate;.3-cyclopropyl-3-oxopropanoic acid tert-butyl ester;tert-butyl 3-cyclopropyl-3-oxopropanoate;.3-cyclopropyl-3-oxo-propionic acid tert-butyl ester;beta-Oxo-cyclopropanepropanoic acid 1,1-dimethylethyl ester;

Chemical Property of BETA-OXO-CYCLOPROPANEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Chemical Property:

• PSA: 43.37000
• LogP: 1.69730

Purity/Quality:

95%-98% ^*data from raw suppliers

tert-?Butyl3-?Cyclopropyl-?3-?oxopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BETA-OXO-CYCLOPROPANEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

There total 2 articles about BETA-OXO-CYCLOPROPANEPROPANOIC ACID 1,1-DIMETHYLETHYL ESTER 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:

mono-tert-butyl malonate (40052-13-9) + cyclopropanecarboxylic acid chloride (4023-34-1) → tert-butyl 3-cyclopropyl-3-oxopropanoate (134302-07-1)

Guidance literature:

mono-tert-butyl malonate; With 1H-imidazole; triethylamine; magnesium chloride; In acetonitrile; at 0 ℃; for 0.25h;

cyclopropanecarboxylic acid chloride; In acetonitrile; at 0 - 20 ℃;

With hydrogenchloride; In water; acetonitrile; Product distribution / selectivity;

Reference yield:

mono-tert-butyl malonate (40052-13-9) + 1-cyclopropcarbonylimidazole (204803-26-9) → tert-butyl 3-cyclopropyl-3-oxopropanoate (134302-07-1)

Guidance literature:

mono-tert-butyl malonate; With magnesium ethylate; In tetrahydrofuran; at 20 ℃; for 4h;

1-cyclopropcarbonylimidazole; In tetrahydrofuran; at 0 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; water; for 0.5h; Product distribution / selectivity;

Reference yield: 70.0%

salt water + tert-butyl 3-cyclopropyl-3-oxopropanoate (134302-07-1) + 3-[(4-cyclopropyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)methyl]-2,4-dichlorobenzoyl chloride (325460-34-2) + p-toluenesulfonic acid monohydrate (6192-52-5) → 3-cyclopropyl-1-{3-[(4-cyclopropyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)methyl]-2,4-dichlorophenyl}propan-1,3-dione (325460-36-4)

Guidance literature:

With hydrogenchloride; sodium bicarbonate; magnesium; In methanol; tetrachloromethane; ethyl acetate; toluene;

upstream raw materials:

mono-tert-butyl malonate

cyclopropanecarboxylic acid chloride

1-cyclopropcarbonylimidazole

Downstream raw materials:

5-cyclopropyl-3-hydroxypyrazole

3-cyclopropyl-1-{3-[(4-cyclopropyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)methyl]-2,4-dichlorophenyl}propan-1,3-dione

1-[2,3-bis(methylsulphenyl)-4-chlorophenyl]-3-cyclopropylpropan-1,3-dione

t-butyl 3-cyclopropyl-2-(2-fluoro-4-methylsulphonylbenzoyl)-3-oxopropionate

Refernces