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About This Item
Linear Formula:
ClCH2CONHC6H4CO2C2H5
CAS Number:
Molecular Weight:
241.67
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
98%
mp
110-114 °C (lit.)
SMILES string
CCOC(=O)c1ccc(NC(=O)CCl)cc1
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)
InChI key
ZVRJEYAQESBSSH-UHFFFAOYSA-N
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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Haider Behbehani et al.
Molecules (Basel, Switzerland), 17(6), 6362-6385 (2012-05-29)
The 4-thiazolidinones 3a-d were used as a key intermediates for the synthesis of 2-arylimino-5-arylidene-4-thiazolidinones derivatives 7a–p via nucleophilic addition reactions with the arylidene malononitrile. Moreover the 4-thiazolidinones 3a and 3c condensed with the DMF-DMA to form the corresponding enamines 8
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