6-Bromo-4-chlorocinnoline

Base Information

• Chemical Name: 6-Bromo-4-chlorocinnoline
• CAS No.: 68211-15-4
• Molecular Formula: C8H4BrClN2
• Molecular Weight: 243.49
• DSSTox Substance ID: DTXSID80498709
• Nikkaji Number: J3.446.100G
• Wikidata: Q72452525
• Mol file: 68211-15-4.mol

Synonyms:6-bromo-4-chlorocinnoline;68211-15-4;6-bromo-4-chloro-cinnoline;MFCD09834643;Cinnoline, 6-bromo-4-chloro-;SCHEMBL4297621;DTXSID80498709;WAKDQKOZUBTOEX-UHFFFAOYSA-N;AKOS015969020;SB38310;AC-25216;AS-40475;SY116220;CS-0005638;FT-0725419;EN300-206598;A836051

Chemical Property of 6-Bromo-4-chlorocinnoline

Chemical Property:

• Vapor Pressure: 0.228mmHg at 25°C
• Melting Point: 127-128℃
• Refractive Index: 1.691
• Boiling Point: 214.417 °C at 760 mmHg
• PKA: -1.08±0.10(Predicted)
• Flash Point: 83.477 °C
• Density: 1.763 g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 241.92464
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Bromo-4-chlorocinnoline 90+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=CN=N2)Cl

Technology Process of 6-Bromo-4-chlorocinnoline

There total 10 articles about 6-Bromo-4-chlorocinnoline 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: 89.0%

6-bromo-1H-cinnolin-4-one (876-88-0,552330-87-7) → 6-bromo-4-chlorocinnoline (68211-15-4)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 0.5h; Reflux;

Reference yield: 61.0%

6-bromocinnolin-4-ol (876-88-0) → 6-bromo-4-chlorocinnoline (68211-15-4)

Guidance literature:

With trichlorophosphate; In tetrahydrofuran; for 0.5h; Reflux;

Reference yield: 43.0%

6-bromocinnolin-4(1H)-one → 6-bromo-4-chlorocinnoline (68211-15-4)

Guidance literature:

With trichlorophosphate; In trichlorophosphate; at 100 ℃; for 2h;

upstream raw materials:

6-bromo-1H-cinnolin-4-one

1-(2-amino-5-bromophenyl)ethanone

N-(2-acetyl-4-bromophenyl)acetamide

2-aminoacetophenone

Downstream raw materials:

(6-bromo-cinnolin-4-yl)-phenyl-amine

Refernces

• 1、 Chen, Yi,Deng, Mingli,Jia, Yu,Ling, Yun,Liu, Xiaofeng,Lu, Mingzhu,Tian, Chengze,Wu, Tianze,Yang, Chengbin,Yang, Yongtai,Zhou, Yaming. "Discovery of cinnoline derivatives as potent PI3K inhibitors with antiproliferative activity". . . Retrieved 2021/07/28.
• 2、 -. "PROTOZOAN PARASITE GROWTH INHIBITORS". Paragraph 0192. . Retrieved 2015/11/10.