1027023-44-4

Basic information

• Product Name: 1-[4-(2-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(1H-indol-3-yl)-butan-1-one
• Synonyms: 1-[4-(2-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(1H-indol-3-yl)-butan-1-one
• CAS NO: 1027023-44-4
• Molecular Weight: 378.901
• Mol File: 1027023-44-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-[4-(2-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(1H-indol-3-yl)-butan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[4-(2-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(1H-indol-3-yl)-butan-1-one(1027023-44-4)
• EPA Substance Registry System: 1-[4-(2-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(1H-indol-3-yl)-butan-1-one(1027023-44-4)

Safety Data

• Hazardous Substances Data: 1027023-44-4(Hazardous Substances Data)

Upstream product

• 553630-94-7 4-(2-chlorophenyl)-4-hydroxypiperidine-1-carboxylic acid tert-butyl ester 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 694-80-4 2-bromo-1-chlorobenzene 
• 3612-20-2 1-phenylmethyl-4-piperidone 
• 133-32-4 4-indol-3-yl-butyric acid 
• 97429-95-3 4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride 

Downstream Products

• 143682-46-6 3-{4-[4-(2-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-1H-indole 

Relevant articles and documents

Synthesis and dopaminergic activity of some 3-(1,2,3,6-tetrahydro-1- pyridylalkyl)indoles. A novel conformational model to explain structure- activity relationships

The synthesis and dopaminergic properties of a novel type of dopamine agonist is described. The number and kind of essential structural elements differ significantly from that of the rigid apomorphine-type dopamine agonists. Using standard molecular modeling techniques, a conformational model is developed proposing a U-shaped conformation which might be energetically preferred through aromatic π-π-interactions between both of the electron rich aromatic structural elements of this class of compounds. Superimposition of conformations of the lead compound 28 with apomorphine yields a novel model explaining the atypical structure-activity relationships found in this class of indolealkylamines.