3-Methoxyquinoline

Base Information

• Chemical Name: 3-Methoxyquinoline
• CAS No.: 6931-17-5
• Molecular Formula: C10H9NO
• Molecular Weight: 159.18
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60341800
• Nikkaji Number: J112.926K
• Wikidata: Q72485983
• Mol file: 6931-17-5.mol

Synonyms:3-Methoxyquinoline;6931-17-5;Quinoline, 3-methoxy-;MFCD16619425;SCHEMBL621584;DTXSID60341800;AMY25936;AKOS015851992;CS-W021958;FS-3117;SB67844;SY021113;FT-0757800;A26209;J-512806;2-METHYL-1-PHENYL-1H-BENZOIMIDAZOLE-5-CARBOXYLICACID

Chemical Property of 3-Methoxyquinoline

Chemical Property:

• Boiling Point: 280.1 °C at 760 mmHg
• Flash Point: 102.7 °C
• PSA: 22.12000
• Density: 1.13 g/cm³
• LogP: 2.24340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• 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

3-Methoxyquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=CC=CC=C2N=C1

Technology Process of 3-Methoxyquinoline

There total 1 articles about 3-Methoxyquinoline 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: 40.0%

3--methoxyquinoline N--oxide (57244-56-1) → 3-methoxyquinoline (6931-17-5) + O-(Methoxy-carbonylmethyl)-phenylisocyanid (63241-14-5) + 3-Methoxy-4-quinolone (76570-17-7) + (2-Formylamino-phenyl)-acetic acid methyl ester (76570-16-6)

Guidance literature:

In cyclohexane; at 15 ℃; Irradiation;

Reference yield: 99.0%

3-methoxyquinoline (6931-17-5) + diphenylzinc (1078-58-6) → 3-methoxy-2-phenylquinoline (41957-65-7)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel⁽⁰⁾; tricyclohexylphosphine; In toluene; at 160 ℃; for 20h; Inert atmosphere;

DOI:10.1002/asia.201100971

Reference yield: 91.0%

3-methoxyquinoline (6931-17-5) → 3-methoxy-5,6,7,8-tetrahydroquinoline (405174-69-8)

Guidance literature:

With [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); (S,S)-(R,R)-PhTRAP; hydrogen; 1,8-diazabicyclo[5.4.0]undec-7-ene; In isopropyl alcohol; at 80 ℃; for 24h; under 37503.8 Torr; chemoselective reaction; Autoclave;

DOI:10.1039/c5cc01971k

upstream raw materials:

3--methoxyquinoline N--oxide

Downstream raw materials:

3-methoxy-5,6,7,8-tetrahydroquinoline

3-methoxy-2-phenylquinoline

5-bromo-3-methoxyquinoline