(E)-2,3-Dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-4H-1-benzopyran-4-one

Base Information

• Chemical Name: (E)-2,3-Dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-4H-1-benzopyran-4-one
• CAS No.: 130688-88-9
• Molecular Formula: C18H16 O4
• Molecular Weight: 296.3172
• Nikkaji Number: J997.596I
• Wikidata: Q76389633
• Mol file: 130688-88-9.mol

Synonyms:(E)-2,3-Dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-4H-1-benzopyran-4-one;BRN 3622311;130688-88-9;(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one;4H-1-Benzopyran-4-one, 2,3-dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-, (E)-;AKOS001446009;LS-39565;(3E)-6-methoxy-3-[(4-methoxyphenyl)methylene]chroman-4-one;2,3-Dihydro-6-methoxy-3-[(E)-(4-methoxyphenyl)methylene]-4H-1-benzopyran-4-one;4H-1-benzopyran-4-one, 2,3-dihydro-6-methoxy-3-[(4-methoxyphenyl)methylene]-, (3E)-

Chemical Property of (E)-2,3-Dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-4H-1-benzopyran-4-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 496.3°Cat760mmHg
• Flash Point: 221.4°C
• Density: 1.236g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 296.10485899
• Heavy Atom Count: 22
• Complexity: 423

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C2COC3=C(C2=O)C=C(C=C3)OC
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C/2\COC3=C(C2=O)C=C(C=C3)OC

Technology Process of (E)-2,3-Dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-4H-1-benzopyran-4-one

There total 5 articles about (E)-2,3-Dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-4H-1-benzopyran-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: 81.0%

(E)-2-(4-Methoxy-phenoxymethyl)-3-(4-methoxy-phenyl)-acrylic acid (214000-08-5) → (E)-3-(4-methoxybenzylidene)-6-methoxychroman-4-one (130688-88-9)

Guidance literature:

With trifluoroacetic anhydride; In dichloromethane; for 1h; Heating;

DOI:10.1039/a804796k

Reference yield: 62.0%

→ (E)-3-(4-methoxybenzylidene)-6-methoxychroman-4-one (130688-88-9)

Guidance literature:

Reference yield:

4-methoxy-phenol (150-76-5) → (E)-3-(4-methoxybenzylidene)-6-methoxychroman-4-one (130688-88-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 52 percent / K₂CO₃ / acetone / 3 h / Heating

2: 92 percent / H₂O, KOH / acetone / 14 h / Ambient temperature

3: 81 percent / TFAA / CH₂Cl₂ / 1 h / Heating

With potassium hydroxide; water; potassium carbonate; trifluoroacetic anhydride; In dichloromethane; acetone;

DOI:10.1039/a804796k

upstream raw materials:

(E)-2-(4-Methoxy-phenoxymethyl)-3-(4-methoxy-phenyl)-acrylic acid

4-methoxy-phenol

methyl (2Z)-2-(bromomethyl)-3-(4-methoxyphenyl)prop-2-enoate

(E)-2-(4-Methoxy-phenoxymethyl)-3-(4-methoxy-phenyl)-acrylic acid methyl ester