5-Bromoquinoline-8-carbonitrile

Base Information

• Chemical Name: 5-Bromoquinoline-8-carbonitrile
• CAS No.: 507476-70-2
• Molecular Formula: C10H5BrN2
• Molecular Weight: 233.067
• Hs Code.: 2933499090
• European Community (EC) Number: 826-631-9
• DSSTox Substance ID: DTXSID10460934
• Nikkaji Number: J1.894.649A
• Wikidata: Q82285117
• Mol file: 507476-70-2.mol

Synonyms:5-bromoquinoline-8-carbonitrile;507476-70-2;5-Bromo-quinoline-8-carbonitrile;MFCD21340269;5-bromo-8-cyanoquinoline;SCHEMBL6495336;AMY4309;DTXSID10460934;DAYKHFAZOORREQ-UHFFFAOYSA-N;AKOS016842706;CS-W004455;SB37413;DS-15907;SY041511;FT-0706356;EN300-374417;O11391;A871464;A1-04923;Z1486006972

Chemical Property of 5-Bromoquinoline-8-carbonitrile

Chemical Property:

• Boiling Point: 367.6±22.0 °C(Predicted)
• PKA: 0.68±0.29(Predicted)
• PSA: 36.68000
• Density: 1.66±0.1 g/cm3(Predicted)
• LogP: 2.86898
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 231.96361
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-quinoline-8-carbonitrile 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2N=C1)C#N)Br

Technology Process of 5-Bromoquinoline-8-carbonitrile

There total 4 articles about 5-Bromoquinoline-8-carbonitrile 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: 95.6%

5-bromoquinoline-8-carbaldehyde oxime → 5-bromo-quinoline-8-carbonitrile (507476-70-2)

Guidance literature:

With copper diacetate; acetic acid; In acetonitrile; for 21h; Reflux;

Reference yield: 51.0%

5-amino-quinoline-8-carbonitrile (573758-03-9) → 5-bromo-quinoline-8-carbonitrile (507476-70-2)

Guidance literature:

5-amino-quinoline-8-carbonitrile; With hydrogen bromide; sodium nitrite; In water; at 0 ℃; for 0.5h;

With hydrogen bromide; copper(I) bromide; In water; at 20 - 100 ℃; for 1h;

Reference yield:

zinc(II) cyanide (557-21-1) + 5-bromo-8-iodoquinoline → 5-bromo-quinoline-8-carbonitrile (507476-70-2)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In N,N-dimethyl-formamide; at 95 ℃; for 5h; Inert atmosphere;

upstream raw materials:

5-amino-quinoline-8-carbonitrile

5-bromoquinoline-8-carboaldehyde

zinc(II) cyanide

Refernces

• 1、 -. "COMPOUNDS AND METHODS FOR MODULATING RNA FUNCTION". Paragraph 0068; 00629. . Retrieved 2018/02/28.
• 2、 -. "COMPOUNDS AND METHODS OF TREATING RNA-MEDIATED DISEASES". Sheet 97/122. . Retrieved 2017/12/27.