Xanthurenic acid 8-methyl ether

Base Information

• Chemical Name: Xanthurenic acid 8-methyl ether
• CAS No.: 2929-14-8
• Molecular Formula: C₁₁H₉NO₄
• Molecular Weight: 219.197
• Hs Code.: 2933499090
• European Community (EC) Number: 889-268-5
• UNII: 92U92J5X9A
• DSSTox Substance ID: DTXSID20183541
• Nikkaji Number: J13.735I
• Wikidata: Q27105632
• Metabolomics Workbench ID: 67939
• Mol file: 2929-14-8.mol

Synonyms:8-methoxyxanthurenic acid;8-methyl ether of xanthurenic acid;xanthurenic acid 8-methyl ether

Chemical Property of Xanthurenic acid 8-methyl ether

Chemical Property:

• Vapor Pressure: 2.34E-07mmHg at 25°C
• Melting Point: 240.5°C
• Refractive Index: 1.4950 (estimate)
• Boiling Point: 407.1°Cat760mmHg
• Flash Point: 200°C
• PSA: 79.65000
• Density: 1.402g/cm³
• LogP: 1.64720
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 219.05315777
• Heavy Atom Count: 16
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

4-Hydroxy-8-methoxy-quinoline-2-carboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1NC(=CC2=O)C(=O)O

Technology Process of Xanthurenic acid 8-methyl ether

There total 3 articles about Xanthurenic acid 8-methyl ether 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:

8-methoxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid ethyl ester (55895-59-5) → 4-hydroxy-8-methoxy-quinoline-2-carboxylic acid (2929-14-8)

Guidance literature:

Reference yield:

biphenyl (92-52-4,1594-86-1) + o-anisidino-butenedioic acid diethyl ester → 4-hydroxy-8-methoxy-quinoline-2-carboxylic acid (2929-14-8)

Guidance literature:

Behandeln des Reaktionsgemisches mit wss. HCl bei 100grad;

DOI:10.1039/jr9570000290

Reference yield:

→ 4-hydroxy-8-methoxy-quinoline-2-carboxylic acid (2929-14-8)

Guidance literature:

N(α)-Acetyl-7-methoxy-DL-tryptophan, O3;

upstream raw materials:

biphenyl

8-methoxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid ethyl ester

Downstream raw materials:

4-bromo-8-methoxyquinoline

4-bromo-8-hydroxyquinoline

8-methoxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid ethyl ester

Refernces

• 1、 -. "2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS". Page 44. . Retrieved 2010/02/07.