6,8-Dichlorochromone-2-carboxylic acid

Base Information

• Chemical Name: 6,8-Dichlorochromone-2-carboxylic acid
• CAS No.: 16722-38-6
• Molecular Formula: C10H4 Cl2 O4
• Molecular Weight: 259.045
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90358567
• Wikidata: Q82139214
• Mol file: 16722-38-6.mol

Synonyms:6,8-Dichlorochromone-2-carboxylic acid;16722-38-6;6,8-Dichloro-4-oxo-4H-chromene-2-carboxylic acid;6,8-dichloro-4-oxochromene-2-carboxylic acid;SCHEMBL5563631;DTXSID90358567;AKOS005135697;CS-0336914

Chemical Property of 6,8-Dichlorochromone-2-carboxylic acid

Chemical Property:

• PSA: 67.51000
• LogP: 2.79800
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 257.9486640
• Heavy Atom Count: 16
• Complexity: 366

Purity/Quality:

98%min ^*data from raw suppliers

6,8-Dichlorochromone-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1C(=O)C=C(O2)C(=O)O)Cl)Cl

Technology Process of 6,8-Dichlorochromone-2-carboxylic acid

There total 2 articles about 6,8-Dichlorochromone-2-carboxylic acid 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: 50.0%

1-(3,5-dichloro-2-hydroxyphenyl)-ethanone (3321-92-4) + oxalic acid diethyl ester (95-92-1) → 6,8-dichloro-4-oxo-4H-chromene-2-carboxylic acid (16722-38-6)

Guidance literature:

1-(3,5-dichloro-2-hydroxyphenyl)-ethanone; oxalic acid diethyl ester; With sodium ethanolate; In ethanol; at 80 ℃; for 12h;

With hydrogenchloride; acetic acid; In water; at 80 ℃; for 5h;

Reference yield:

→ 6,8-dichloro-4-oxo-4H-chromene-2-carboxylic acid (16722-38-6)

Guidance literature:

Reference yield: 80.0%

6,8-dichloro-4-oxo-4H-chromene-2-carboxylic acid (16722-38-6) + 4-chloro-o-anisidine (93-50-5) → 6,8-dichloro-N-(4-chloro-2-methoxyphenyl)-4-oxochromene-2-carboxamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 18h; Inert atmosphere;

upstream raw materials:

1-(3,5-dichloro-2-hydroxyphenyl)-ethanone

oxalic acid diethyl ester

Refernces

• 1、 -. "CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE". Page/Page column 28; 29. . Retrieved 2020/05/21.