Efloxate

Base Information

• Chemical Name: Efloxate
• CAS No.: 119-41-5
• Molecular Formula: C19H16 O5
• Molecular Weight: 324.333
• Hs Code.: 2918990090
• European Community (EC) Number: 204-321-9
• NSC Number: 758891
• UNII: CZU6V3902K
• DSSTox Substance ID: DTXSID3048736
• Nikkaji Number: J2.479A
• Wikipedia: Efloxate
• Wikidata: Q962269
• NCI Thesaurus Code: C74416
• Metabolomics Workbench ID: 154151
• ChEMBL ID: CHEMBL1349073
• Mol file: 119-41-5.mol

Synonyms:efloxate;Recordil

Chemical Property of Efloxate

Chemical Property:

• Vapor Pressure: 1.28E-09mmHg at 25°C
• Melting Point: 123-124°
• Refractive Index: 1.6120 (estimate)
• Boiling Point: 486.5°C at 760 mmHg
• Flash Point: 269.1°C
• PSA: 65.74000
• Density: 1.265g/cm³
• LogP: 3.40190
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 324.09977361
• Heavy Atom Count: 24
• Complexity: 492

Purity/Quality:

98%,99%, ^*data from raw suppliers

Efloxate 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

Technology Process of Efloxate

There total 14 articles about Efloxate 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: 82.5%

7-hydroxyflavone (6665-86-7,66585-10-2) + chloroacetic acid ethyl ester (105-39-5) → 7-ethoxycarbonylmethoxyflavone (119-41-5)

Guidance literature:

With potassium carbonate; sodium iodide; In acetone; for 48h; Reflux;

DOI:10.1007/s00044-015-1317-9

Reference yield: 61.0%

2,2-dibromostyrene (7436-90-0) + 2-hydroxy-4-<(carboxymethyl)oxy>benzaldehyde ethyl ester (96089-43-9) → 7-ethoxycarbonylmethoxyflavone (119-41-5)

Guidance literature:

With chlorocarbonylbis(triphenylphosphine)rhodium(I); potassium carbonate; In N,N-dimethyl acetamide; at 90 ℃; for 5h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c9ob02670c

Reference yield: 44.0%

7-hydroxyflavone (6665-86-7,66585-10-2) + ethyl bromoacetate (105-36-2) → 7-ethoxycarbonylmethoxyflavone (119-41-5)

Guidance literature:

7-hydroxyflavone; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

ethyl bromoacetate; In N,N-dimethyl-formamide; at 70 ℃; for 2h;

DOI:10.1016/j.bmcl.2018.07.006

upstream raw materials:

7-hydroxyflavone

ethyl bromoacetate

2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)acetic acid

[3-hydroxy-4-(3-oxo-3-phenyl-propionyl)-phenoxy]-acetic acid ethyl ester

Refernces

• 1、 Ramakrishna, Boddu S.,Rao, Maddali L. N.. "Rh-Catalyzed aldehydic C-H alkynylation and annulation". . p. 1402 - 1411. Retrieved 2020/03/03.
• 2、 -. "COMPOUNDS FOR IMMUNOPOTENTIATION". Page/Page column 122. . Retrieved 2010/02/15.