33930-63-1

Basic information

• Product Name: 4-bromo-2-methyl-isoquinolin-1-one
• Synonyms: 4-bromo-2-methyl-isoquinolin-1-one;4-bromo-2-methylisoquinolin-1(2H)-one;4-broMo-2-Methyl-1,2-dihydroisoquinolin-1-one;4-Bromo-2-methyl-2H-isoquinolin-1-one;NSC 218343;4-Bromo-2-methyl-1(2H)-isoquinolinone;4-Bromo-2-methylisoquinolin-1(2H)
• CAS NO: 33930-63-1
• Molecular Formula: C₁₀H₈BrNO
• Molecular Weight: 238.09
• Mol File: 33930-63-1.mol
• Article Data: 8

Chemical Properties

• Melting Point: 129-130 °C(Solv: cyclohexane (110-82-7))
• Boiling Point: 345.8°Cat760mmHg
• Flash Point: 162.9°C
• Appearance: /
• Density: 1.592g/cm³
• Vapor Pressure: 6.02E-05mmHg at 25°C
• Refractive Index: 1.645
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -3.97±0.70(Predicted)
• CAS DataBase Reference: 4-bromo-2-methyl-isoquinolin-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-bromo-2-methyl-isoquinolin-1-one(33930-63-1)
• EPA Substance Registry System: 4-bromo-2-methyl-isoquinolin-1-one(33930-63-1)

Safety Data

• Hazardous Substances Data: 33930-63-1(Hazardous Substances Data)

Usage

General Description

4-bromo-2-methyl-isoquinolin-1-one is a synthetic compound that belongs to the class of chemicals known as isoquinolines, a type of heterocyclic aromatic organic compound. It contains a bromine atom and a methyl group attached to an isoquinoline backbone. The systematic name of this chemical is 4-bromoisochinolin-1(2H)-one, and it comes in a solid state at room temperature. Its applications are predominantly in the area of chemistry research, being used as a reactant in chemical syntheses. The properties of this compound, including its reactivity and toxicity, are largely determined by the presence of the bromine atom and the isoquinoline structure.

InChI:InChI=1/C10H8BrNO/c1-12-6-9(11)7-4-2-3-5-8(7)10(12)13/h2-6H,1H3

Upstream product

• 491-30-5 1-isoquinolone 
• 1532-97-4 4-bromoisoquinoline 
• 3951-95-9 4-bromo-1,2-dihydroisoquinolin-1-one 
• 74-88-4 methyl iodide 
• 4594-71-2 N-methylisocarbostyril 
• 54931-73-6 4-bromo-2-methylisoquinolin-2-ium iodide 

Downstream Products

• 1349798-31-7 C₂₄H₂₈N₂O₂ 

Relevant articles and documents

SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME

The present invention includes substituted arylmethyl ureas and heteroarylmethyl-ureas, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) infections in a patient.

Carbene-catalyzed aerobic oxidation of isoquinolinium salts: Efficient synthesis of isoquinolinones

A mild and environmentally friendly carbene-catalyzed aerobic oxidation of isoquinolinium salts was successfully realized. Accordingly, a diverse set of isoquinolinones and phenanthridinones was efficiently prepared in good to excellent yields. The mechanistic study indicates that the formation of an aza-Breslow intermediate is the crucial step in this transformation. This reaction features ambient air as the sole oxidant and oxygen source, a broad substrate scope, and excellent functional-group tolerance and proceeds under mild reaction conditions. Furthermore, a highly efficient synthesis of bioactive molecules and natural products including N-methylcrinasiadine, N-isopentylcrinasiadine, N-phenethylcrinasiadine, isoindolo[2,1-b]isoquinolin-5(7H)-one, PJ-34, rac-Gusanlung D, rosettacin, 8-oxopseudopalmatine and ilicifoline B was accomplished.

Iridium(III)-Catalyzed Regiocontrolled Direct Amidation of Isoquinolones and Pyridones

Iridium(III)-catalyzed highly regiocontrolled C3/C8 amidation of isoquinolones and C6 amidation of 2-pyridones has been successfully accomplished with various azides. The optimized method is operationally simple with a broad substrate scope. The protocol has been found to be scalable. (Figure presented.).