10579-67-6

Basic information

• Product Name: 2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline
• Synonyms: 2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline;UKRORGSYN-BB BBV-031529;2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline(SALTDATA: FREE);3-chloro-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;1-Propanone,3-chloro-1-(3,4-dihydro-2(1H)-isoquinolinyl)-
• CAS NO: 10579-67-6
• Molecular Formula: C12H14ClNO
• Molecular Weight: 223.7
• Mol File: 10579-67-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 390.5°C at 760 mmHg
• Flash Point: 190°C
• Appearance: /
• Density: 1.199g/cm³
• Vapor Pressure: 2.63E-06mmHg at 25°C
• Refractive Index: 1.564
• CAS DataBase Reference: 2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline(10579-67-6)
• EPA Substance Registry System: 2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline(10579-67-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 10579-67-6(Hazardous Substances Data)

Usage

General Description

"2-(3-chloropropanoyl)-1,2,3,4-tetrahydroisoquinoline" is a chemical compound with the molecular formula C14H16ClNO. It is a derivative of tetrahydroisoquinoline, which is a heterocyclic compound found in various natural products and pharmaceuticals. The presence of the 3-chloropropanoyl group in this compound suggests that it may have potential uses in medicinal chemistry or drug development. The specific properties and uses of this compound would depend on further research and testing, but its structure suggests that it may have relevance in the fields of pharmacology and organic synthesis.

InChI:InChI=1/C12H14ClNO/c13-7-5-12(15)14-8-6-10-3-1-2-4-11(10)9-14/h1-4H,5-9H2

Upstream product

• 91-21-4 1,2,3,4-tetrahydroisoquinoline 
• 625-36-5 2-chloropropionyl chloride 

Relevant articles and documents

Indole derivatives useful for the treatment of CNS disorders

The present invention relates to dopamine D4 ligands having the general formula I wherein (a) one of Y1 and Y2 is N, which is bound to Y4, and the other of Y1 and Y2 is CO, CS, SO, or SO2 and Y4 is CH2; (b) one of Y1 and Y2 is N, which is bound to Y4, and the other of Y1 and Y2 is CH2 and Y4 is CO, CS, SO or SO2; or (c) one of Y1 and Y2 is N, which is bound to Y4, and the other of Y1 and Y2 is CH2 and Y4 is CH2; Y3is Z—CH2, CH2—Z or CH2CH2, and Z is O or S; provided that when Y1 is N, Y3 may not be Z—CH2; W is a bond or an O, S, CO, CS, SO or SO2 group; n is 0-5, m is 0-5 and m+n is 1-10; provided that when W is O or S, then n≧2 and m≧1; when W is CO, CS, SO or SO2, then n≧1 and m≧1; X is C, CH or N; provided that when X is C, the dotted line indicates a bond, and when X is N or CH, the dotted line is absent; R1-R9 are independently selected from hydrogen, halogen, cyano, nitro, amino, hydroxy, C1-6-alkyl-amino, di-C1-6-alkyl-amino, C1-6-alkyl, C2-6-alkenyl, C2-6-alkynyl, C1-6 alkoxy, C1-6-alkylthio, C1-6-alkyl substituted with hydroxy or thiol, C3-8-cycloalkyl, C3-8-cycloalkyl-C1-6-alkyl, acyl, thioacyl, aryl, trifluoromethyl, trifluoromethylsulfonyl, and C1-6 alkylsulfonyl; R10 is hydrogen, C1-6-alkyl, C2-6-alkenyl, C2-6-alkynyl, C1-6-alkyl substituted with hydroxy or thiol, C3-8-cycloalkyl, C3-8-cycloalkyl-C1-6-alkyl, aryl, aryl-C1-6-alkyl, acyl, thioacyl, C1-6-alkylsulfonyl, trifluoromethylsulfonyl or arylsulfonyl, or a pharmaceutically acceptable acid addition salt thereof. The compounds of the invention are potent dopamine D4 receptor ligands.