7-Hydroxy-3-(4-methoxyphenoxy)chromen-4-one

Base Information

• Chemical Name: 7-Hydroxy-3-(4-methoxyphenoxy)chromen-4-one
• CAS No.: 137987-99-6
• Molecular Formula: C16H12O5
• Molecular Weight: 284.26
• DSSTox Substance ID: DTXSID90160425
• Wikidata: Q72484863
• ChEMBL ID: CHEMBL1489562
• Mol file: 137987-99-6.mol

Synonyms:137987-99-6;7-hydroxy-3-(4-methoxyphenoxy)chromen-4-one;7-Hydroxy-3-(4-methoxy-phenoxy)-chromen-4-one;BRN 5442381;7-hydroxy-3-(4-methoxyphenoxy)-4H-chromen-4-one;4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenoxy)-;7-Hydroxy-3-(4-methoxyphenoxy)-4H-1-benzopyran-4-one;CBMicro_009185;Cambridge id 5140611;Oprea1_344759;Oprea1_839814;MLS001207870;CHEMBL1489562;SCHEMBL18550764;DTXSID90160425;HMS2838A19;SMSF0003703;BBL034775;MFCD00525549;STK922841;AKOS000272683;NCGC00245315-01;NCGC00245315-02;LS-39698;SMR000517110;VS-12667;BIM-0009125.P001;EU-0068648;EN300-235925;AB00126110-07;SR-01000404552;SR-01000404552-1;Z57086659;F0195-0062;7-Hydroxy-3-(4-methoxyphenoxy)-4H-chromen-4-one, AldrichCPR

Chemical Property of 7-Hydroxy-3-(4-methoxyphenoxy)chromen-4-one

Chemical Property:

• Vapor Pressure: 2.73E-09mmHg at 25°C
• Boiling Point: 465.6°C at 760 mmHg
• PKA: 6.74±0.20(Predicted)
• Flash Point: 176°C
• PSA: 68.90000
• Density: 1.373g/cm³
• LogP: 3.29950
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 284.06847348
• Heavy Atom Count: 21
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

7-hydroxy-3-(4-methoxyphenoxy)-4H-chromen-4-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-43
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O

Technology Process of 7-Hydroxy-3-(4-methoxyphenoxy)chromen-4-one

There total 5 articles about 7-Hydroxy-3-(4-methoxyphenoxy)chromen-4-one 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: 95.0%

2,4-dihydroxy-α-(4-methoxyphenoxy)acetophenone (121361-55-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 7-Hydroxy-3-(4-methoxy-phenoxy)-chromen-4-one (137987-99-6)

Guidance literature:

With boron trifluoride diethyl etherate; phosphorus trichloride; at 50 - 60 ℃;

DOI:10.1007/BF00767267

Reference yield:

Formic acid 3-(4-methoxy-phenoxy)-4-oxo-4H-chromen-7-yl ester → 7-Hydroxy-3-(4-methoxy-phenoxy)-chromen-4-one (137987-99-6)

Guidance literature:

With triethylamine; formyl acetic anhydride; at 80 - 100 ℃; for 0.25h; Yield given;

DOI:10.1007/BF00475243

Reference yield:

2,4-dihydroxy-α-(4-methoxyphenoxy)acetophenone (121361-55-5) → 7-Hydroxy-3-(4-methoxy-phenoxy)-chromen-4-one (137987-99-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / 0.17 h / 0 °C

2: mixed anhydride of acetic and formic acid, Et₃N / 0.25 h / 80 - 100 °C

With triethylamine; formyl acetic anhydride;

DOI:10.1007/BF00475243

upstream raw materials:

2,4-dihydroxy-α-(4-methoxyphenoxy)acetophenone

N,N-dimethyl-formamide

2-(4-methoxyphenoxy)acetonitrile

recorcinol

Downstream raw materials:

Acetic acid 3-(4-methoxy-phenoxy)-4-oxo-4H-chromen-7-yl ester

3-(4-hydroxyphenyl)-7-hydroxychromone

Acetic acid 3-(4-acetoxy-phenoxy)-4-oxo-4H-chromen-7-yl ester