7-chloro-4-oxo-4H-chromene-2-carboxylic acid

Base Information

• Chemical Name: 7-chloro-4-oxo-4H-chromene-2-carboxylic acid
• CAS No.: 114741-22-9
• Molecular Formula: C10H5ClO4
• Molecular Weight: 224.5973
• Hs Code.: 2918300090
• European Community (EC) Number: 808-258-3
• DSSTox Substance ID: DTXSID10361013
• Wikidata: Q82143095
• Mol file: 114741-22-9.mol

Synonyms:7-chloro-4-oxo-4H-chromene-2-carboxylic acid;114741-22-9;7-chloro-4-oxochromene-2-carboxylic acid;7-Chloro-4-oxo-4H-chromene-2-carboxylicacid;4H-1-Benzopyran-2-carboxylic acid, 7-chloro-4-oxo-;C10H5ClO4;Oprea1_370506;AI-204/31682012;SCHEMBL6331139;DTXSID10361013;QTAXIAZVGOANTN-UHFFFAOYSA-N;MFCD00847040;AKOS016846023;MB01526;DS-11918;CS-0441449;EN300-256636;O11646;Z1509700849

Chemical Property of 7-chloro-4-oxo-4H-chromene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.649
• Boiling Point: 384.537°C at 760 mmHg
• Flash Point: 186.362°C
• PSA: 67.51000
• Density: 1.612g/cm³
• LogP: 2.14460
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 223.9876363
• Heavy Atom Count: 15
• Complexity: 336

Purity/Quality:

97% ^*data from raw suppliers

7-Chloro-4-oxo-4H-chromene-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)OC(=CC2=O)C(=O)O

Technology Process of 7-chloro-4-oxo-4H-chromene-2-carboxylic acid

There total 6 articles about 7-chloro-4-oxo-4H-chromene-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: 89.0%

ethyl 7-chloro-4-oxo-4H-chromene-2-carboxylate (113850-94-5) → 7-chloro-4-oxo-4H-chromene-2-carboxylic acid (114741-22-9)

Guidance literature:

With hydrogenchloride; water; In acetic acid; at 80 ℃; for 4.5h;

Reference yield:

4-chloro-2-hydroxy acetophenone (6921-66-0) + oxalic acid diethyl ester (95-92-1) → 7-chloro-4-oxo-4H-chromene-2-carboxylic acid (114741-22-9)

Guidance literature:

4-chloro-2-hydroxy acetophenone; oxalic acid diethyl ester; With sodium ethanolate; In ethanol; at 40 ℃; for 0.5h;

With hydrogenchloride; acetic acid; at 80 ℃; for 31h;

DOI:10.1021/jm060683e

Reference yield:

4-chloro-N,2-dimethoxy-N-methylbenzamide (205320-02-1) → 7-chloro-4-oxo-4H-chromene-2-carboxylic acid (114741-22-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: tetrahydrofuran; diethyl ether / 16 h / -78 - 20 °C

2.1: boron tribromide / CH₂Cl₂ / 1.5 h / 0 - 20 °C

3.1: sodium ethoxide / ethanol / 0.5 h / 40 °C

3.2: 204 mg / acetic acid; aq. HCl / 31 h / 80 °C

With sodium ethanolate; boron tribromide; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane;

DOI:10.1021/jm060683e

upstream raw materials:

4-chloro-2-hydroxy acetophenone

oxalic acid diethyl ester

4-chloro-N,2-dimethoxy-N-methylbenzamide

2-methoxy-4-chlorobenzoic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 114741-22-9 7-chloro-4-oxo-4H-chromene-2-carboxylic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send