4-Quinolinecarboxylic acid, 1-oxide

Base Information

• Chemical Name: 4-Quinolinecarboxylic acid, 1-oxide
• CAS No.: 40614-43-5
• Molecular Formula: C10H7NO3
• Molecular Weight: 189.17
• DSSTox Substance ID: DTXSID80394479
• Nikkaji Number: J2.583.341D
• Wikidata: Q82193886
• Mol file: 40614-43-5.mol

Synonyms:4-Quinolinecarboxylic acid, 1-oxide;40614-43-5;4-Carboxyquinoline 1-oxide;SCHEMBL3194423;DTXSID80394479;AKOS023552918

Chemical Property of 4-Quinolinecarboxylic acid, 1-oxide

Chemical Property:

• PSA: 62.76000
• LogP: 1.96650
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.042593085
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=[N+]2[O-])C(=O)O

Technology Process of 4-Quinolinecarboxylic acid, 1-oxide

There total 1 articles about 4-Quinolinecarboxylic acid, 1-oxide 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:

C6H4NCH2CHCCH2 (491-35-0) → 4-methylquinoline 1-oxide (4053-40-1) + 4-carboxyquinoline 1-oxide (40614-43-5) + 4-quinolinic acid (486-74-8)

Guidance literature:

With acetyl peroxyborate; In water; at 124.84 ℃; for 4h;

DOI:10.1002/chem.200701679

Reference yield: 79.0%

4-carboxyquinoline 1-oxide (40614-43-5) → Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + 2-quinolone-4-carboxylic acid (15733-89-8)

Guidance literature:

In methanol; for 0.666667h; Irradiation;

DOI:10.1248/cpb.28.1157

Reference yield:

4-carboxyquinoline 1-oxide (40614-43-5) → 2-chloroquinoline-4-carboxylic acid (5467-57-2)

Guidance literature:

With trichlorophosphate; Behandeln des Reaktionsprodukts mit H₂O;

upstream raw materials:

C₆H₄NCH₂CHCCH₂

Downstream raw materials:

2-chloroquinoline-4-carboxylic acid

Indole-3-carboxaldehyde

2-quinolone-4-carboxylic acid

Refernces