112381-21-2

Basic information

• Product Name: Hexanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester
• CAS NO: 112381-21-2
• Molecular Formula: C11H19NO3
• Molecular Weight: 213.277
• Mol File: 112381-21-2.mol

Chemical Properties

• Boiling Point: 112-115 °C(Press: 0.5 Torr)
• Density: 1.008±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Hexanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Hexanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester(112381-21-2)
• EPA Substance Registry System: Hexanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester(112381-21-2)

Safety Data

• Hazardous Substances Data: 112381-21-2(Hazardous Substances Data)

Upstream product

• 4637-24-5 N,N-dimethyl-formamide dimethyl acetal 
• 3249-68-1 ethyl butyroyl acetate 

Downstream Products

• 127957-83-9 ethyl 2-amino-4-propylpyrimidine-5-carboxylate 
• 127957-89-5 2-Methyl-4-propyl-pyrimidine-5-carboxylic acid ethyl ester 
• 127957-96-4 2-Phenyl-4-propyl-pyrimidine-5-carboxylic acid ethyl ester 
• 116344-12-8 5-propyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester 
• 134541-04-1 5-Propyl-4-isoxazolecarboxylic acid 
• 123374-28-7 ethyl 3-propyl-1H-pyrazole-4-carboxylate 
• 89967-04-4 2-phenyl-4-propylpyrimidine 
• 127958-13-8 2-Phenyl-4-propyl-pyrimidine-5-carboxylic acid 
• 89967-02-2 2-Methyl-4-propyl-pyrimidine 
• 28732-64-1 4-propyl-pyrimidin-2-ylamine 
• 116344-17-3 1-phenyl-5-propyl-1H-pyrazole-4-carboxylic acid 
• 91565-82-1 1-phenyl-5-propyl-1H-pyrazole 

Relevant articles and documents

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Irradiation of 3-alkyl indole 20 gave spiropyrroline 22 via [2+2]-photocycloaddition and subsequent in situ retro-Mannich fragmentation of fused cyclobutane 21. N-Alkylation of 22 followed by treatment of the resulting pyrrolinium salt with sodium hydride and lithium diisopropylamide generated a dienolate dianion, e.g. 24, which underwent cyclization to afford tetracyclic products 25, 27 and 30. The configuration of 25 was proven by a series of NMR experiments which established that ring C in the major stereoisomer resides in a boat conformation. Tetracycles 25, 27, and 30 contain structural features including the ABCD ring system and substituents found in certain alkaloids of the Vinca family.

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