5-methoxy-2H-isoquinolin-1-one

Base Information

• Chemical Name: 5-methoxy-2H-isoquinolin-1-one
• CAS No.: 118313-35-2
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.18400
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID20358979
• Wikidata: Q82139938
• Mol file: 118313-35-2.mol

Synonyms:118313-35-2;5-methoxy-2H-isoquinolin-1-one;5-methoxyisoquinolin-1(2H)-one;5-METHOXY-1,2-DIHYDROISOQUINOLIN-1-ONE;Oprea1_045149;F2621-0727;SCHEMBL1536501;SCHEMBL13729970;5-Methoxy-1(2H)-isoquinolinone;DTXSID20358979;JTIMZAUBSBUCNK-UHFFFAOYSA-N;MFCD00713157;AKOS005208558;AB06974;AS-38982;5-Methoxy-2H-isoquinolin-1-one, AldrichCPR;FT-0769265;EN300-201983;Z1201620504

Chemical Property of 5-methoxy-2H-isoquinolin-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 222-224 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 438.478oC at 760 mmHg
• PKA: 12.79±0.20(Predicted)
• Flash Point: 218.984oC
• PSA: 42.35000
• Density: 1.199g/cm3
• LogP: 1.94900
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

5-Methoxy-2H-isoquinolin-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1C=CNC2=O

Technology Process of 5-methoxy-2H-isoquinolin-1-one

There total 9 articles about 5-methoxy-2H-isoquinolin-1-one 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: 54.0%

3-(2-methoxy-phenyl)-acryloyl azide (118652-95-2) → 5-methoxy-2H-isoquinoline-1-one (118313-35-2)

Guidance literature:

In Diphenylmethane; at 200 ℃; for 4h; Heating / reflux;

Reference yield: 53.0%

2-methoxycinnamic acid (1011-54-7) → 5-methoxyisoquinolin-1-ol (118313-35-2)

Guidance literature:

Reference yield: 53.0%

→ 5-methoxyisoquinolin-1-ol (118313-35-2)

Guidance literature:

In Diphenylmethane; at 80 ℃; for 4h; Reflux;

upstream raw materials:

isoquinoline-1,5-diol

methyl iodide

2-methoxycinnamic acid

3-(2-methoxy-phenyl)-acryloyl azide

Downstream raw materials:

1-chloro-5-methyoxyisoquinoline

(2-bromo-5-trifluoromethylphenyl)(5-methoxyisoquinolin-1-yl)methanone

(2-bromo-4,5-dimethoxyphenyl)(5-methoxyisoquinolin-1-yl)methanone

(2-bromophenyl)(5-methoxyisoquinolin-1-yl)methanone