Ethyl 4-chloroacetoacetate

CAS No.：638-07-3

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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Ethyl 4-chloroacetoacetate Basic information

Product Name:	Ethyl 4-chloroacetoacetate
Synonyms:	AKOS BBS-00004336;4-CHLOROACETOACETIC ACID ETHYL ESTER;BUTANOIC ACID, 4-CHLORO-3-OXO-ETHYL ESTER;ETHYL 4-CHLOROACETOACETATE;ETHYL 4-CHLORO-3-OXOBUTANOATE;ETHYL-GAMMA-CHLOROACETOACETATE;Amlodipine Impurity 66;4-chloroacetoacetate reference substance
CAS:	638-07-3
MF:	C6H9ClO3
MW:	164.59
EINECS:	211-317-0
Product Categories:	C6 to C7;Carbonyl Compounds;Pharmaceutical Intermediates;Halogen compounds;Esters;Aliphatics;1;bc0001
Mol File:	638-07-3.mol

Ethyl 4-chloroacetoacetate Chemical Properties

Melting point	-8 °C
Boiling point	115 °C/14 mmHg (lit.)
density	1.218 g/mL at 25 °C (lit.)
vapor pressure	7hPa at 20℃
refractive index	n20/D 1.452(lit.)
Fp	206 °F
storage temp.	2-8°C
solubility	47.0g/l
form	Liquid
pka	9.56±0.46(Predicted)
color	Clear colorless to pale reddish-yellow
PH	2.9 (10g/l, H2O, 20℃)
explosive limit	1.8%(V)
Water Solubility	47.5 g/L (20 ºC)
BRN	1761275
InChIKey	OHLRLMWUFVDREV-UHFFFAOYSA-N
LogP	0.68 at 25℃
CAS DataBase Reference	638-07-3(CAS DataBase Reference)
NIST Chemistry Reference	Butanoic acid, 4-chloro-3-oxo-, ethyl ester(638-07-3)
EPA Substance Registry System	Ethyl 4-chloroacetoacetate (638-07-3)

Safety Information

Hazard Codes	T,N,C
Risk Statements	25-34-51/53-24/25-36
Safety Statements	26-36-45-61-36/37/39-27
RIDADR	UN 2922 8/PG 2
WGK Germany	3
RTECS	AK5110000
F	8-10-19-21
TSCA	Yes
HazardClass	8
PackingGroup	II
HS Code	29183000

MSDS Information

Provider	Language
Ethyl 4-chloro-3-oxobutanoate	English
SigmaAldrich	English
ACROS	English
ALFA	English

Ethyl 4-chloroacetoacetate Usage And Synthesis

Chemical Properties	Ethyl 4-chloroacetoacetate is colorless to pale reddish-yellow clear liquid
Uses	Ethyl-4-chloracetoacetate (CAAEt) is used as intermediate for organic syntheses, e.g. ethyl 4-chloro-3-arylaminocrotonates, diethyl succinylsuccinate, 2-alkyl-4-hydroxy-6-chloromethylpyrimidines, 4- chloromethylcoumarines. Product Data Sheet
Uses	Ethyl 4-chloroacetoacetate is used as a precursor in the preparation of phosphorous ylides. It finds application in regular film coating, pharmaceutical coating and formulation.

Ethyl 4-chloroacetoacetate Preparation Products And Raw materials

Raw materials

Ethanol-->Chlorine-->Acetyl ketene-->METHANE

Preparation Products

4-CHLOROMETHYL-6-METHYL-CHROMEN-2-ONE-->ETHYL 2-(CHLOROMETHYL)-4-METHYLQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE-->ETHYL 2-(CHLOROMETHYL)-4-PHENYLQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE-->2-(6-METHOXY-1-BENZOFURAN-3-YL)ACETIC ACID-->Diethyl succinosuccinate-->ETHYL 2-(CHLOROMETHYL)-4-PHENYLQUINOLINE-3-CARBOXYLATE-->4-CHLOROMETHYL-7-METHOXY-CHROMEN-2-ONE-->4-Thiazoleacetic acid, ethyl ester-->6-(Chloromethyl)uracil-->(2-PHENYL-THIAZOL-4-YL)-ACETIC ACID-->Ethyl (R)-(-)-4-cyano-3-hydroxybutyate-->Ethyl 4-(benzyloxy)-3-oxobutanoate-->DL-CARNITINE

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