Ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate

Base Information

• Chemical Name: Ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate
• CAS No.: 23866-72-0
• Molecular Formula: C12H10 O5
• Molecular Weight: 234.208
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70178568
• Nikkaji Number: J104.311K
• Wikidata: Q83049027
• ChEMBL ID: CHEMBL82749
• Mol file: 23866-72-0.mol

Synonyms:7-hydroxy-4-oxo-4H-chromen-2--carboxylic acid ethyl ester;ethyl 7-hydroxy-4-oxo-4H-chromen-2-carboxylate

Chemical Property of Ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate

Chemical Property:

• Vapor Pressure: 2.93E-07mmHg at 25°C
• Melting Point: 222 °C
• Boiling Point: 408.6°Cat760mmHg
• Flash Point: 161.2°C
• PSA: 76.74000
• Density: 1.397g/cm³
• LogP: 1.67530
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 234.05282342
• Heavy Atom Count: 17
• Complexity: 360

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl7-hydroxy-4-oxo-4H-chromene-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)O

Technology Process of Ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate

There total 5 articles about Ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate 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: 86.0%

2',4'-dihydroxy-4-acetophenone (89-84-9) + oxalic acid diethyl ester (95-92-1) → ethyl 7-hydroxy-4-oxo-4H-chromen-2-carboxylate (23866-72-0)

Guidance literature:

With sodium ethanolate; In ethanol; at 50 ℃; for 3h;

DOI:10.1016/S0040-4020(01)88308-3

Reference yield: 68.0%

oxalic acid diethyl ester (95-92-1) → ethyl 7-hydroxy-4-oxo-4H-chromen-2-carboxylate (23866-72-0)

Guidance literature:

With hydrogenchloride; sodium ethanolate; In ethanol; dichloromethane; water;

Reference yield:

2',4'-dihydroxy-4-acetophenone (89-84-9) → ethyl 7-hydroxy-4-oxo-4H-chromen-2-carboxylate (23866-72-0)

Guidance literature:

With hydrogenchloride; sodium; In ethanol; water; oxalic acid diethyl ester;

upstream raw materials:

2',4'-dihydroxy-4-acetophenone

oxalic acid diethyl ester

diethyl ether

Downstream raw materials:

methyl (R,S)-6-acetyl-7-<5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy>-3,4-dihydro-2H-1-benzopyran-2-carboxylate

(R,S)-6-acetyl-7-<<5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl>oxy>-3,4-dihydro-2H-H-benzopyran-2-carboxylic acid sodium salt

7-[5-(4-acetyl-3-hydroxy-phenoxy)-pentyloxy]-4-oxo-4H-chromene-2-carboxylic acid ethyl ester

ethyl 4-oxo-7-[7-(2-n-propylphenoxy)heptyloxy]-4H-1-benzopyran-2-carboxylate

Refernces

• 1、 -. "SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS". Paragraph 0310-0312. . Retrieved 2020/12/25.
• 2、 -. "LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF". Paragraph 00322. . Retrieved 2017/02/24.