52244-06-1

Basic information

• Product Name: (6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
• Synonyms: 6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-1-ISOQUINOLINE ACETONITRILE;(6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE;6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinoline acetonitrile,98%;2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile;2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanenitrile
• CAS NO: 52244-06-1
• Molecular Formula: C₁₃H₁₆N₂O₂
• Molecular Weight: 232.28
• Mol File: 52244-06-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 110-114 °C
• Boiling Point: 374.44°C (rough estimate)
• Flash Point: 202.3 °C
• Appearance: yellow fluffy powder
• Density: 1.1099 (rough estimate)
• Vapor Pressure: 5.85E-07mmHg at 25°C
• Refractive Index: 1.6450 (estimate)
• CAS DataBase Reference: (6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: (6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE(52244-06-1)
• EPA Substance Registry System: (6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE(52244-06-1)

Safety Data

• Hazard Codes: C,N,Xn
• Statements: 34-20/21/22-50-22
• Safety Statements: 45-36/37/39-26-61
• HazardClass: IRRITANT
• Hazardous Substances Data: 52244-06-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H16N2O2/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2/h7-8,11,15H,3-4,6H2,1-2H3/p+1/t11-/m1/s1

Upstream product

• 43052-77-3 (3,4-dihydro-6,7-dimethoxyisoquinolin-1-yl)acetonitrile 
• 3382-18-1 6,7-dimethoxy-3,4-dihydro-isoquinoline 
• 372-09-8 cyanoacetic acid 

Downstream Products

• 105361-59-9 2-benzamido-1,5,6,10b-tetrahydro-8,9-dimethoxypyrazolo<5,1-a>isoquinoline 
• 105361-61-3 N-(8,9-Dimethoxy-1,5,6,10b-tetrahydro-pyrazolo[5,1-a]isoquinolin-2-yl)-4-methyl-benzamide 
• 105361-62-4 4-Chloro-N-(8,9-dimethoxy-1,5,6,10b-tetrahydro-pyrazolo[5,1-a]isoquinolin-2-yl)-benzamide 
• 105361-60-2 N-(8,9-Dimethoxy-1,5,6,10b-tetrahydro-pyrazolo[5,1-a]isoquinolin-2-yl)-4-methoxy-benzamide 
• 508235-37-8 8-(1-Cyanomethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ylmethyl)-5-(3,4-dimethoxybenzylamino)-2-(2-furyl)[1,2,4]triazolo[1,5-c]pyrimidine 
• 43052-77-3 (3,4-dihydro-6,7-dimethoxyisoquinolin-1-yl)acetonitrile 

Relevant articles and documents

The Reaction of 3,4-Dihydroisoquinolines With Malonic Acid and Its Derivatives

The reaction of various 3,4-dihydroisoquinolines with malonic acid gives the corresponding 1,2,3,4-tetrahydro-1-isoquinolineacetic acids in good yield, while the reaction with cyanoacetic acid and malonic acid half ethyl ester affords 1,2,3,4-tetrahydro-1

1,2,4-Oxadiazolin-5-one derivatives, process for their preparation and pharmaceutical compositions containing them

The invention concerns new compounds of the formula (I) STR1 wherein R1 is hydrogen, phenyl or phenyl substituted with at least one alkyl having 1 to 4 carbon atoms, halogen, alkoxy having 1 to 4 carbon atoms or nitro; R2 is alkyl having 1 to 4 carbon atoms, cycloalkyl having 5 to 7 carbon atoms, phenyl, or phenyl substituted with at least one alkyl having 1 to 4 carbon atoms, halogen, alkoxy having 1 to 4 carbon atoms or nitro; R3 is alkoxy having 1 to 4 carbon atoms or hydrogen, R4 is hydrogen, alkyl having 1 to 4 carbon atoms unsubstituted or substituted with alkoxy having 1 to 4 carbon atoms, benzyloxy or cyano, phenyl, or phenyl substituted with at least one alkyl having 1 to 4 carbon atoms, halogen, alkoxy having 1 to 4 carbon atoms or nitro, or phenyl-(C1-4 alkyl)-alkyl, in which the phenyl moiety may bear an alkoxy substituent having 1 to 4 carbon atoms or a halogen; m and n are each 0, 1 or 2 or a pharmaceutically acceptable acid addition or quaternary salt thereof. The compounds are potent vasodilators and exert a favorable influence on the extremital blood flow. They also show a heart function influencing activity. Methods for the preparation of said compounds and pharmaceutical compositions containing them are also the subject of the invention.