164011

Methyl 3-chloro-3-oxopropionate

97%

• Synonym(s): Methyl malonyl chloride, Methyl chloroformylacetate
• Linear Formula: CH₃OCOCH₂COCl
• CAS Number: 37517-81-0
• Molecular Weight: 136.53
• Beilstein: 1754078
• EC Number: 253-540-6
• MDL number: MFCD00013657
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850046
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.432 (lit.)
• bp: 57-59 °C/12 mmHg (lit.)
• density: 1.273 g/mL at 25 °C (lit.)
• functional group: acyl chloride
• storage temp.: 2-8°C
• SMILES string: COC(=O)CC(Cl)=O
• InChI: 1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
• InChI key: UTBCRHAMJFMIIR-UHFFFAOYSA-N

Description

General description

Methyl 3-chloro-3-oxopropionate reacts with 4-cyano-1,1′-biphenyl derivatives bearing ω-hydroxyalkyl substituents to yield liquid-crystalline linear malonates and cyanoacetates.

Application

Methyl 3-chloro-3-oxopropionate was used as a reagent in the synthesis of resin-bound 4-tosyl quinolinone, 1-anthracen-9-ylmethyl 3-methyl 2,2-dimethylmalonate and 1-(4-(3,5-dihydropyren-1-yl)butyl)-3-methyl 2,2-dimethylmalonate.

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H314,H335
• Precautionary Statements: P261 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1B - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 176.0 °F - closed cup
• Flash Point(C): 80 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves