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559288 Sigma-Aldrich

Ethyl (3-chlorobenzoyl)acetate

≥97%

Synonym: 3-Chloro-ß-oxobenzenepropanoic acid ethyl ester, Ethyl 3-(3-chlorophenyl)-3-oxopropanoate

  • CAS Number 33167-21-4

  • Linear Formula ClC6H4COCH2CO2C2H5

  • Molecular Weight 226.66

  •  MDL number MFCD03424810

  •  PubChem Substance ID 24879812

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
assay   ≥97%
refractive index   n20/D 1.5460 (lit.)
bp   257-258 °C (lit.)
density   1.213 g/mL at 25 °C (lit.)
SMILES string   CCOC(=O)CC(=O)c1cccc(Cl)c1
InChI   1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
InChI key   WWFYJJHEBDWEJF-UHFFFAOYSA-N

Description

Application

Reagent / reactant involved in:
• Oxidative cross-coupling via dioxygen activation with indoles
• Chlorination and hydrosilylation for synthesis of α-hydroxy β-amino acid derivatives
• Precursor for substrates for chiral Lewis base-catalyzed stereoselective reduction with trichlorosilane and water
• Intramolecular cyclization for synthesis of dihydrofurans
• Rate acceleration of Michael reactions
• Cerium ammonium nitrate-mediated oxidative coupling

Packaging

1, 5 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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