Isoquinoline-5-boronic acid

Base Information

• Chemical Name: Isoquinoline-5-boronic acid
• CAS No.: 371766-08-4
• Molecular Formula: C9H8BNO2
• Molecular Weight: 172.979
• Hs Code.: 2933499090
• Mol file: 371766-08-4.mol

Synonyms:5-Isoquinolineboronic acid;Isoquinolin-5-ylboronic acid;Boronicacid, 5-isoquinolinyl- (9CI);Boronic acid, B-5-isoquinolinyl-;

Chemical Property of Isoquinoline-5-boronic acid

Chemical Property:

• Vapor Pressure: 2.32E-08mmHg at 25°C
• Melting Point: 166-188 °C
• Boiling Point: 419.1 °C at 760 mmHg
• Flash Point: 207.3 °C
• PSA: 53.35000
• Density: 1.28 g/cm³
• LogP: -0.08540
• Storage Temp.: Keep Cold

Purity/Quality:

99% ^*data from raw suppliers

Isoquinoline-5-boronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Isoquinoline-5-boronic acid, HCl

Technology Process of Isoquinoline-5-boronic acid

There total 5 articles about Isoquinoline-5-boronic acid 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: 82.0%

5-bromoisoquinoline (34784-04-8) → isoquinoline 5-boronic acid (371766-08-4)

Guidance literature:

5-bromoisoquinoline; With Triisopropyl borate; tert.-butyl lithium; In tetrahydrofuran; at -78 - 20 ℃;

With hydrogenchloride; water; In tetrahydrofuran;

Reference yield: 58.0%

5-bromoisoquinoline (34784-04-8) + Triisopropyl borate (5419-55-6) → isoquinoline 5-boronic acid (371766-08-4)

Guidance literature:

5-bromoisoquinoline; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.75h;

Triisopropyl borate; In tetrahydrofuran; at -78 - 20 ℃; for 1.08333h;

With sodium hydroxide; water; In tetrahydrofuran;

Reference yield: 56.0%

5-bromoisoquinoline (34784-04-8) + Trimethyl borate (121-43-7,63156-11-6) → isoquinoline 5-boronic acid (371766-08-4)

Guidance literature:

5-bromoisoquinoline; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.75h;

Trimethyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.3987/COM-05-10496

upstream raw materials:

5-bromoisoquinoline

Trimethyl borate

Triisopropyl borate

water

Downstream raw materials:

5-(2-methoxy-6-(propyn-1-yl)phenyl)isoquinoline

5-(2-(4-methyl-1H-imidazol-1-yl)-4-(trifluoromethyl)phenyl)isoquinoline

8-(2-(1H-imidazol-1-yl)-4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline

tert-butyl 4-(2-(isoquinolin-5-yl)-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate

Refernces

• 1、 Abrunhosa-Thomas, Isabelle,Anizon, Fabrice,Artola, Alain,Dallel, Radhouane,Descheemaeker, Amélie,Giraud, Francis,Moreau, Pascale,Nauton, Lionel,Pinto-Pardo, Nicolas,Théry, Vincent,Visseq, Alexia. "Pyridin-2(1H)one derivatives: A possible new class of therapeutics for mechanical allodynia". . . Retrieved 2019/12/24.
• 2、 -. "Nicotinamide n-oxide derivatives as vanilloid-1 receptor modulators". Page/Page column 4. . Retrieved 2009/05/29.