Tilbroquinol

Base Information

• Chemical Name: Tilbroquinol
• CAS No.: 7175-09-9
• Molecular Formula: C10H8 Br N O
• Molecular Weight: 238.084
• European Community (EC) Number: 230-533-6
• UNII: P6SB125NHA
• DSSTox Substance ID: DTXSID80221973
• Nikkaji Number: J227.426D
• Wikipedia: Tilbroquinol
• Wikidata: Q7802069
• NCI Thesaurus Code: C72866
• Metabolomics Workbench ID: 154052
• ChEMBL ID: CHEMBL1788385
• Mol file: 7175-09-9.mol

Synonyms:7-bromo-5-methyl-8-quinolinol;tilbroquinol

Chemical Property of Tilbroquinol

Chemical Property:

• Vapor Pressure: 3.86E-05mmHg at 25°C
• Melting Point: 160 °C(Solv: ethanol (64-17-5))
• Boiling Point: 342.2°C at 760 mmHg
• PKA: 3.79±0.30(Predicted)
• Flash Point: 160.8°C
• PSA: 33.12000
• Density: 1.612g/cm³
• LogP: 3.01130
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 236.97893
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

98% ^*data from raw suppliers

Tilbroquinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C2=C1C=CC=N2)O)Br
• Uses: Tilbroquinol is used in the synthesis of o-chloro hydroxy derivatives in pyridine and quinoline.

Technology Process of Tilbroquinol

There total 3 articles about Tilbroquinol 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: 80.0%

broxyquinoline (521-74-4) + methyl iodide (74-88-4) → 7-bromo-8-hydroxy-5-methylquinoline (7175-09-9)

Guidance literature:

broxyquinoline; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 2h;

methyl iodide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2.25h;

Reference yield:

5-methyl-8-quinolinol (5541-67-3) → 7-bromo-8-hydroxy-5-methylquinoline (7175-09-9)

Guidance literature:

With bromine; tert-butylamine; In chloroform; toluene; at -78 - 20 ℃; for 0.75h;

Reference yield:

→ 7-bromo-8-hydroxy-5-methylquinoline (7175-09-9)

Guidance literature:

5-Methyl-8-hydroxy-chinolin, Br2;

upstream raw materials:

broxyquinoline

methyl iodide

5-methyl-8-quinolinol

Downstream raw materials:

7-chloro-8-hydroxy-5-methylquinoline

Refernces

• 1、 -. "Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors". Page/Page column 43. . Retrieved 2010/02/10.