6-Methoxyisoquinoline

Base Information

• Chemical Name: 6-Methoxyisoquinoline
• CAS No.: 52986-70-6
• Molecular Formula: C10H9NO
• Molecular Weight: 159.188
• Hs Code.: 2933499090
• European Community (EC) Number: 836-137-5
• DSSTox Substance ID: DTXSID60452920
• Nikkaji Number: J708.180D
• Wikidata: Q72490151
• Mol file: 52986-70-6.mol

Synonyms:6-methoxyisoquinoline;52986-70-6;6-methoxy-isoquinoline;6-Methoxy Isoquinoline;ISOQUINOLINE, 6-METHOXY-;MFCD04114861;S-3536;6-isoquinolinyl methyl ether;SCHEMBL1204577;DTXSID60452920;XZNUJESLPUNSNO-UHFFFAOYSA-N;AMY18040;AKOS005255310;AB19119;FS-3055;SY013880;A7723;CS-0005444;FT-0654728;EN300-120494;A829335;J-518858;Z1201622861

Chemical Property of 6-Methoxyisoquinoline

Chemical Property:

• Appearance/Colour: clear oil
• Boiling Point: 295.593 °C at 760 mmHg
• PKA: 6.11±0.10(Predicted)
• Flash Point: 108.428 °C
• PSA: 22.12000
• Density: 1.131 g/cm³
• LogP: 2.24340
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Dichloromethane
• XLogP3: 2.2
• 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

6-MethoxyIsoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C=NC=C2
• Uses: 6-Methoxy Isoquinoline (cas# 52986-70-6) is a compound useful in organic synthesis.

Technology Process of 6-Methoxyisoquinoline

There total 11 articles about 6-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: 96.0%

6-methoxy-1,2,3,4-tetrahydro-isoquinoline (42923-77-3) → 6-methoxyisoquinoline (52986-70-6)

Guidance literature:

With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); In 1,3,5-trimethyl-benzene; at 165 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201200532

Reference yield: 75.0%

[[(2,2-Dimethoxy-ethyl)-ethoxycarbonyl-amino]-(4-methoxy-phenyl)-methyl]-phosphonic acid dimethyl ester (112435-06-0) → 6-methoxyisoquinoline (52986-70-6)

Guidance literature:

With titanium tetrachloride; In dichloromethane; for 36h; Heating;

DOI:10.1021/jo00167a043

Reference yield: 52.0%

6-methoxy-1,2,3,4-tetrahydro-isoquinoline (42923-77-3) → 6-methoxyisoquinoline (52986-70-6) + 6-Methoxy-3,4-dihydroisoquinoline (14446-29-8)

Guidance literature:

With sodium carbonate; In ethyl acetate; at 120 ℃; for 24h; Sealed tube; Green chemistry;

DOI:10.1002/adsc.201700178

upstream raw materials:

6-methoxy-1,2,3,4-tetrahydro-isoquinoline

[[(2,2-Dimethoxy-ethyl)-ethoxycarbonyl-amino]-(4-methoxy-phenyl)-methyl]-phosphonic acid dimethyl ester

4-methoxy-benzaldehyde

6-methoxy-1,2,3,4-tetrahydro-1-oxoisoquinoline

Downstream raw materials:

6-methoxyisoquinoline 2-oxide

4-bromo-6-methoxyisoquinolin-1(2H)-one

6-methoxy-1,2,3,4-tetrahydro-isoquinoline

bianfugecine

Refernces

• 1、 Huang, Lin,Bismuto, Alessandro,Rath, Simon A.,Trapp, Nils,Morandi, Bill. "Ruthenium-Catalyzed Dehydrogenation Through an Intermolecular Hydrogen Atom Transfer Mechanism". supporting information. p. 7290 - 7296. Retrieved 2021/03/01.
• 2、 Zhong, Jian-Ji,To, Wai-Pong,Liu, Yungen,Lu, Wei,Che, Chi-Ming. "Efficient acceptorless photo-dehydrogenation of alcohols and: N -heterocycles with binuclear platinum(ii) diphosphite complexes". . p. 4883 - 4889. Retrieved 2019/05/16.