4-BROMO-1(2H)-ISOQUINOLONE

Base Information

• Chemical Name: 4-BROMO-1(2H)-ISOQUINOLONE
• CAS No.: 3951-95-9
• Molecular Formula: C9H6BrNO
• Molecular Weight: 224.057
• Hs Code.: 2933790090
• Mol file: 3951-95-9.mol

Synonyms:Isocarbostyril,4-bromo- (6CI,7CI,8CI);4-Bromo-1(2H)-isoquinolinone;4-Bromoisocarbostyril;NSC 265341;

Chemical Property of 4-BROMO-1(2H)-ISOQUINOLONE

Chemical Property:

• Vapor Pressure: 7.26E-07mmHg at 25°C
• Melting Point: 248-249 °C (decomp)(Solv: acetic acid (64-19-7); water (7732-18-5))
• Refractive Index: 1.654
• Boiling Point: 408 °C at 760 mmHg
• PKA: 11.91±0.40(Predicted)
• Flash Point: 200.5 °C
• PSA: 33.12000
• Density: 1.666 g/cm³
• LogP: 2.70290
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

4-Bromoisoquinolin-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BROMO-1(2H)-ISOQUINOLONE

There total 10 articles about 4-BROMO-1(2H)-ISOQUINOLONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1-isoquinolone (491-30-5) → 4-bromo-1,2-dihydroisoquinolin-1-one (3951-95-9)

Guidance literature:

With pyridinium hydrobromide perbromide; In dichloromethane;

DOI:10.1021/jm401509e

Reference yield: 93.0%

1-hydroxyisoquinoline (491-30-5,87602-67-3) → 4-Bromo-1-hydroxyisoquinoline (3951-95-9)

Guidance literature:

With bromine; In dichloromethane; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.bmcl.2016.11.080

Reference yield: 86.0%

→ 4-bromo-1,2-dihydroisoquinolin-1-one (3951-95-9)

Guidance literature:

upstream raw materials:

1-isoquinolone

1-hydroxyisoquinoline

4-bromoisoquinoline N-oxide

4-bromoisoquinoline

Downstream raw materials:

4-bromo-1-chloroisoqionoline

1,2-dihydro-1-oxo-4-isoquinolinecarboxaldehyde

4-methyl-1(2H)-isoquinolinone

4-bromo-1-methoxyisoqionoline

Refernces

• 1、 Bhuyan, Samuzal,Chhetri, Karan,Hossain, Jagir,Jana, Saibal,Mandal, Susanta,Roy, Biswajit Gopal. "Efficient visible light mediated synthesis of quinolin-2(1H)-ones from quinolineN-oxides". supporting information. p. 5049 - 5055. Retrieved 2021/07/29.
• 2、 Ansari, Amantullah,Satalkar, Sharad,Patil, Varshavekumar,Shete, Amit S.,Kaur, Simranjeet,Gupta, Ashu,Singh, Siddhartha,Raja, Mohd.,Severance, Daniel L.,Bernales, Sebastián,Chakravarty, Sarvajit,Hung, David T.,Pham, Son M.,Herrera, Francisco J.,Rai, Roopa. "Novel 3-methylindoline inhibitors of EZH2: Design, synthesis and SAR". supporting information. p. 217 - 222. Retrieved 2016/12/27.