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14794-31-1

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14794-31-1 Structure

14794-31-1 Structure
IdentificationMore
[Name]

Ethyl 3-(chloroformyl)propionate
[CAS]

14794-31-1
[Synonyms]

BETA CARBETHOXY PROPIONYL CHLORIDE
ETHYL 3-(CHLOROFORMYL)PROPIONATE
ETHYL 4-CHLORO-4-OXOBUTYRATE
ETHYL SUCCINYL CHLORIDE
SUCCINIC ACID MONOETHYL ESTER CHLORIDE
3-Carboethoxypropionyl chloride
4-chloro-4-oxo-butanoicaciethylester
beta-Ethoxycarbonylpropionyl chloride
Ethyl 4-chloro-4-oxobutanoate
Ethyl succinoyl chloride
Propionic acid, 3-(chloroformyl)-, ethyl ester
Ethyl siccinyl chloride
ETHYL 4-CHLORO-4-OXOBUTYRATE,95%
Ethyl succinyl chloride, tech., 95%
3-CARBETHOXYPROPIONYL CHLORIDE (Ethyl Succinyl Chloride)
3-Carbethoxypropionyl chloride
3-Ethoxycarbonylpropionyl chloride
Monoethyl succinyl chloride
Butanoic acid, 4-chloro-4-oxo-, ethyl ester
4-chloro-4-oxo-butanoic acid ethyl ester
[EINECS(EC#)]

238-855-9
[Molecular Formula]

C6H9ClO3
[MDL Number]

MFCD00000751
[Molecular Weight]

164.59
[MOL File]

14794-31-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to yellow liquid
[Boiling point ]

88-90 °C11 mm Hg(lit.)
[density ]

1.155 g/mL at 25 °C(lit.)
[vapor pressure ]

48.2Pa@25°C
[refractive index ]

n20/D 1.437(lit.)
[Fp ]

184 °F
[storage temp. ]

2-8°C
[solubility ]

soluble in Chloroform, Ethyl Acetate
[form ]

Liquid
[color ]

Clear colorless to yellow
[Specific Gravity]

1.144 to 1.17
[Water Solubility ]

59.01g/L@25°C
[Sensitive ]

Moisture Sensitive
[BRN ]

1766126
[InChI]

1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3
[InChIKey]

IXZFDJXHLQQSGQ-UHFFFAOYSA-N
[SMILES]

CCOC(=O)CCC(Cl)=O
[LogP]

0.05
[CAS DataBase Reference]

14794-31-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 4-chloro-4-oxo-, ethyl ester(14794-31-1)
[EPA Substance Registry System]

Butanoic acid, 4-chloro-4-oxo-, ethyl ester (14794-31-1)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
R36/37:Irritating to eyes and respiratory system .
R14:Reacts violently with water.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29171990
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Succinic anhydride-->Monoethyl fumarate-->Mono-ethyl succinate-->Ethanol-->Thionyl chloride-->Diethyl succinate-->N,N-Dimethylformamide-->Dichloromethane
[Preparation Products]

5-hydroxy-4-oxopentanoic acid-->2-[(4-Ethoxy-1,4-dioxobutyl)amino]benzoic acid ethyl ester-->Ethyl 4-[3,4-(ethylenedioxy)phenyl]-4-oxobutyrate-->Ethyl 4-(2-thiazolyl)-4-oxobutyrate-->Ethyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate-->Ethyl 4-(2,4-dimethoxyphenyl)-4-oxobutyrate-->Ethyl 4-(3,5-dimethoxyphenyl)-4-oxobutyrate-->Ethyl 4-oxo-4-(3-thienyl)butyrate-->4-Oxooctanoic acid ethyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl 3-(chloroformyl)propionate(14794-31-1).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colourless to yellow liquid
[Uses]

Ethyl 4-chloro-4-oxobutyrate was used in the synthesis of:
  • polymer-supported bifunctional catalyst
  • succinimidyl ester of benzo(a)pyrene
  • succinate prodrugs of curcuminoids
[Flammability and Explosibility]

Notclassified(100%)
[Synthesis]

MONO-ETHYL SUCCINATE

1070-34-4

Ethyl Succinyl Chloride

14794-31-1

The general procedure for the synthesis of monoethyl succinate chloride from monoethyl succinate: monoethyl succinate (116.8 g, 0.8 mol), dichloromethane (300 mL) and thionyl chloride (104 g, 0.88 mol) were added to a reaction flask, N,N-dimethylformamide (0.8 g) was added under nitrogen protection, and heated and stirred by refluxing for 5 hours at 38°C. The reaction was completed with a solution of dichloromethane (124 g, 0.88 mol). Upon completion of the reaction, a dichloromethane solution of monoethylsuccinic acid chloride (124 g, yield: 95%) was obtained.

[References]

[1] Heterocycles, 2001, vol. 55, # 8, p. 1487 - 1498
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 7, p. 1528 - 1536
[3] Patent: CN104326922, 2016, B. Location in patent: Paragraph 0038; 0040
[4] Journal of the American Chemical Society, 1991, vol. 113, # 6, p. 2071 - 2092
[5] Journal of Organic Chemistry, 1996, vol. 61, # 14, p. 4848 - 4852
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl Succinyl Chloride(14794-31-1)1HNMR
Ethyl Succinyl Chloride(14794-31-1)Raman
Ethyl Succinyl Chloride(14794-31-1)IR
Ethyl Succinyl Chloride(14794-31-1)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl succinyl chloride, 98%(14794-31-1)
[Alfa Aesar]

Ethyl succinyl chloride, 97%(14794-31-1)
[Sigma Aldrich]

14794-31-1(sigmaaldrich)
[TCI AMERICA]

Ethyl Succinyl Chloride,>95.0%(T)(14794-31-1)
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