Eduline

Base Information

• Chemical Name: Eduline
• CAS No.: 6878-08-6
• Molecular Formula: C17H15NO2
• Molecular Weight: 265.3065
• UNII: 9CR4RV2MWM
• Nikkaji Number: J616.195B
• Wikidata: Q105007788
• Metabolomics Workbench ID: 49106
• ChEMBL ID: CHEMBL1415524
• Mol file: 6878-08-6.mol

Synonyms:eduline

Chemical Property of Eduline

Chemical Property:

• PSA: 31.23000
• LogP: 3.21410
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 265.110278721
• Heavy Atom Count: 20
• Complexity: 398

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=CC=C3

Technology Process of Eduline

There total 11 articles about Eduline 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%

phenylpropynoic acid methyl ester (4891-38-7) + N-methyl-N-(4-methoxyphenyl)amine (5961-59-1) → 6-methoxy-1-methyl-2-phenylquinolin-4(1H)-one (6878-08-6)

Guidance literature:

With trifluorormethanesulfonic acid; copper(II) bis(trifluoromethanesulfonate); In 1,2-dichloro-ethane; at 120 ℃; for 12h;

DOI:10.1021/acs.orglett.7b02495

Reference yield: 63.0%

6-methoxy-N-methyl-2-phenylquinolinium trifluoromethanesulfonate → 6-methoxy-1-methyl-2-phenylquinolin-4(1H)-one (6878-08-6)

Guidance literature:

With sodium hydroxide; potassium hexacyanoferrate(III); at 20 ℃; for 12h;

DOI:10.3987/com-06-s(o)37

Reference yield: 40.0%

6-methoxy-1-methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione (52851-64-6) + acetophenone (98-86-2) → 6-methoxy-1-methyl-2-phenylquinolin-4(1H)-one (6878-08-6)

Guidance literature:

acetophenone; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -70 ℃; for 1h;

6-methoxy-1-methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione; In tetrahydrofuran; for 13.5h;

DOI:10.1248/bpb.24.100

upstream raw materials:

6-methoxy-2-phenylquinolin-4-ol

dimethyl sulfate

6-methoxy-1-methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione

acetophenone