Ethyl 2-chloroacetoacetate

Ethyl 2-chloroacetoacetate Basic information
Product Name:Ethyl 2-chloroacetoacetate
Synonyms:2-chloro-3-oxo-butanoicaciethylester;2-Chloro-3-oxobutyric acid ethyl ester;Acetoacetic acid, 2-chloro-, ethyl ester;Ethyl 2-chloracetoacetate;ETHYL 2-CHLOROACETOACETATE;ETHYL ALPHA-CHLOROACETOACETATE;ETHYL CHLOROACETOACETATE;2-Chloro-3-oxobutyric acid ethyl
CAS:609-15-4
MF:C6H9ClO3
MW:164.59
EINECS:210-180-4
Product Categories:Organic synthesis;Aliphatics;C6 to C7;Carbonyl Compounds;Esters;Pharmaceutical Intermediates;Drug Intermediates;bc0001
Mol File:609-15-4.mol
Ethyl 2-chloroacetoacetate Structure
Ethyl 2-chloroacetoacetate Chemical Properties
Melting point -80 °C
Boiling point 107 °C/14 mmHg (lit.)
density 1.19 g/mL at 25 °C (lit.)
vapor pressure 49.4-100Pa at 20℃
refractive index n20/D 1.441(lit.)
Fp 122 °F
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
solubility Chloroform (Sparingly), Ethyl Acetate (Slightly)
form Liquid
pka7.92±0.46(Predicted)
color Clear yellow
Water Solubility 17 g/L (20 ºC)
BRN 774278
LogP1.2 at 20℃ and pH1-7
Surface tension69.4mN/m at 1g/L and 20℃
CAS DataBase Reference609-15-4(CAS DataBase Reference)
NIST Chemistry ReferenceButanoic acid, 2-chloro-3-oxo-, ethyl ester(609-15-4)
EPA Substance Registry SystemEthyl 2-chloroacetoacetate (609-15-4)
Safety Information
Hazard Codes C,Xn,F
Risk Statements 10-22-34-52/53-36/37/38-36
Safety Statements 16-26-36/37/39-45-61-37/39
RIDADR UN 2920 8/PG 2
WGK Germany 2
19
Hazard Note Corrosive
TSCA Yes
HazardClass 3.2
PackingGroup III
HS Code 29183000
MSDS Information
ProviderLanguage
2-Chloroacetoacetic acid ethyl esterEnglish
SigmaAldrichEnglish
ACROSEnglish
ALFAEnglish
Ethyl 2-chloroacetoacetate Usage And Synthesis
Chemical Propertiesclear bright yellow liquid
UsesEthyl 2-chloroacetoacetate was used to study reductive dechlorination of β-keto ester ethyl 2-chloroacetoacetate by Saccharomyces cerevisiae.
Biochem/physiol ActionsEthyl 2-chloroacetoacetate reacts with thiosemicarbazones to form heterocyclic substituted thiophene derivatives having non-steroidal anti-inflammatory activity.
Ethyl 2-chloroacetoacetate Preparation Products And Raw materials
Raw materialsMagnesium sulfate–>Ethyl acetoacetate–>Sulfuryl chloride–>2-CHLORO-3-OXO-BUTYRONITRILE–>Butanoic acid, 2-chloro-3-oxo-–>Tosyl chloride–>Acetyl ketene–>Ethyl chloroacetate
Preparation Products4-METHYL-1,3-OXAZOLE-5-CARBOXYLIC ACID–>4-METHYLOXAZOLE-5-CARBONYL CHLORIDE–>TERT-BUTYL 4-(5-FORMYL-4-METHYL-1,3-THIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE–>2,4-Dimethylthiazole-5-carboxylic acid–>3,5-DIMETHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER–>ETHYL 2-CHLORO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE–>4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-5-CARBALDEHYDE–>4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBONYL CHLORIDE–>4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID–>Ethyl 2-amino-4-methylthiazole-5-carboxylate–>ETHYL 4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLATE–>Methyl 2-chloroacetoacetate–>ethyl 2,4-dichloro-3-oxobutyrate–>Oxiracetam–>2-CHLORO-2-HYDROXYIMINOACETIC ACID ETHYL ESTER

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