ChemicalBook--->CAS DataBase List--->26226-72-2

26226-72-2

26226-72-2 Structure

26226-72-2 Structure
IdentificationBack Directory
[Name]

ETHYL 4-(2-CHLOROACETAMIDO)BENZOATE
[CAS]

26226-72-2
[Synonyms]

AKOS B015654
AKOS USSH-4110488
AKOS BBS-00003983
BUTTPARK 80\07-83
TIMTEC-BB SBB003207
LABOTEST-BB LT00452438
ETHYL 4-(2-CHLOROACETAMIDO)BENZOATE
Ethyl p-(chloroacetylamino) benzoate
ETHYL 4-[(CHLOROACETYL)AMINO]BENZOATE
ethyl 4-(2-chloroethanoylamino)benzoate
ETHYL 4-[(2-CHLOROACETYL)AMINO]BENZOATE
p-Chloroacetylaminobenzoic acid ethyl ester
Benzoic acid, p-(2-chloroacetamido)-, ethyl ester
Benzoic acid, 4-[(chloroacetyl)aMino]-, ethyl ester
JR-8639, Ethyl 4-[(chloroacetyl)amino]benzoate, 97%
BENZOIC ACID, 4-[(2-CHLOROACETYL)AMINO]-, ETHYL ESTER
4-[(2-chloro-1-oxoethyl)amino]benzoic acid ethyl ester
[Molecular Formula]

C11H12ClNO3
[MDL Number]

MFCD00018909
[MOL File]

26226-72-2.mol
[Molecular Weight]

241.67
Chemical PropertiesBack Directory
[Melting point ]

110-114 °C(lit.)
[Boiling point ]

421.1±30.0 °C(Predicted)
[density ]

1.283±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

12.36±0.70(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C11H12ClNO3/c1-2-16-11(15)8-3-5-9(6-4-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)
[InChIKey]

ZVRJEYAQESBSSH-UHFFFAOYSA-N
[SMILES]

CCOC(=O)c1ccc(NC(=O)CCl)cc1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Ethyl 4-(2-chloroacetamido)benzoate can be synthesized starting from benzocaine. It undergoes heterocyclization in the presence of ammonium thiocyanate in refluxing ethanol to afford ethyl-4-(4-oxothiazolidin-2-ylideneamino)benzoate, via intramolecular cyclization and the Dimroth-like rearrangements.
[General Description]

Ethyl 4-(2-chloroacetamido)benzoate can be synthesized starting from benzocaine. It undergoes heterocyclization in the presence of ammonium thiocyanate in refluxing ethanol to afford ethyl-4-(4-oxothiazolidin-2-ylideneamino)benzoate, via intramolecular cyclization and the Dimroth-like rearrangements.
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 4-(2-CHLOROACETAMIDO)BENZOATE(26226-72-2)1HNMR
ETHYL 4-(2-CHLOROACETAMIDO)BENZOATE(26226-72-2)IR
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