4-Methoxyisoquinoline

Base Information

• Chemical Name: 4-Methoxyisoquinoline
• CAS No.: 36034-54-5
• Molecular Formula: C10H9NO
• Molecular Weight: 159.18500
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID00396379
• Nikkaji Number: J1.683.170K
• Wikidata: Q72490157
• Mol file: 36034-54-5.mol

Synonyms:4-methoxyisoquinoline;36034-54-5;MFCD01646265;4-Methoxy-isoquinoline;4-methoxy isoquinoline;SCHEMBL1536378;DTXSID00396379;YZGFLHYYILUCCS-UHFFFAOYSA-N;CS-D0173;AKOS015852347;DS-1018;FS-3118;SY041611;FT-0715119;A26435;J-515668

Chemical Property of 4-Methoxyisoquinoline

Chemical Property:

• Boiling Point: 295.6±13.0 °C(Predicted)
• PKA: 5.04±0.10(Predicted)
• PSA: 22.12000
• Density: 1.13
• LogP: 2.24340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxyisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CN=CC2=CC=CC=C21

Technology Process of 4-Methoxyisoquinoline

There total 4 articles about 4-Methoxyisoquinoline 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: 91.0%

methanol (67-56-1) + 4-bromoisoquinoline (1532-97-4) → 4--methoxyisoquinoline (36034-54-5)

Guidance literature:

With t-BuBrettPhos; [(2-di-tert-butylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1’-biphenyl)-2-(2’-amino-1,1‘-biphenyl)]palladium(II) methanesulfonate; sodium t-butanolate; In 1,4-dioxane; at 50 ℃; for 20h; Sealed tube; Inert atmosphere;

DOI:10.1021/ol401796v

Reference yield: 35.3%

4-bromoisoquinoline (1532-97-4) + potassium methanolate (865-33-8) → 4--methoxyisoquinoline (36034-54-5)

Guidance literature:

4-bromoisoquinoline; potassium methanolate; more than 3 stages;

Reference yield: 15.0%

4--methoxyisoquinoline N--oxide (76570-11-1) → 4-methoxy-2H-isoquinolin-1-one (31053-32-4) + 4--methoxyisoquinoline (36034-54-5)

Guidance literature:

In water; at 15 ℃; Irradiation; photoreaction;

upstream raw materials:

4--methoxyisoquinoline N--oxide

4-bromoisoquinoline

potassium methanolate

methanol

Refernces

• 1、 Ingoglia, Bryan T.,Buchwald, Stephen L.. "Oxidative Addition Complexes as Precatalysts for Cross-Coupling Reactions Requiring Extremely Bulky Biarylphosphine Ligands". supporting information. p. 2853 - 2856. Retrieved 2017/06/07.
• 2、 -. "HEPATITIS C VIRUS INHIBITORS". Page 305. . Retrieved 2008/06/13.