4H-1-Benzopyran-4-one, 3-(bromomethyl)-2-phenyl-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 3-(bromomethyl)-2-phenyl-
• CAS No.: 118092-39-0
• Molecular Formula: C16H11BrO2
• Molecular Weight: 315.166
• DSSTox Substance ID: DTXSID50474318
• Wikidata: Q82304258

Synonyms:118092-39-0;3-(bromomethyl)-2-phenyl-4H-chromen-4-one;4H-1-Benzopyran-4-one, 3-(bromomethyl)-2-phenyl-;bromomethylflavone;SCHEMBL18079061;DTXSID50474318

Chemical Property of 4H-1-Benzopyran-4-one, 3-(bromomethyl)-2-phenyl-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 313.99424
• Heavy Atom Count: 19
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)CBr

Technology Process of 4H-1-Benzopyran-4-one, 3-(bromomethyl)-2-phenyl-

There total 5 articles about 4H-1-Benzopyran-4-one, 3-(bromomethyl)-2-phenyl- 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: 87.0%

3-methyl-2-phenyl-4H-1-benzopyran-4-one (71972-66-2) → 3-bromomethyl-2-phenyl-4H-chromen-4-one (118092-39-0)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; Reflux; Inert atmosphere;

DOI:10.1055/s-0033-1340013

Reference yield:

1-(2-Hydroxy-phenyl)-propan-1-on (610-99-1) → 3-bromomethyl-2-phenyl-4H-chromen-4-one (118092-39-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / sodium benzoate / 7 h / 180 - 190 °C

2: 81 percent / N-bromosuccinimide; benzoyl peroxide / CCl₄ / 5 h / Heating

With sodium benzoate; N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane;

DOI:10.1021/jm060186y

Reference yield:

benzoyl chloride (98-88-4) → 3-bromomethyl-2-phenyl-4H-chromen-4-one (118092-39-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / sodium benzoate / 7 h / 180 - 190 °C

2: 81 percent / N-bromosuccinimide; benzoyl peroxide / CCl₄ / 5 h / Heating

With sodium benzoate; N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane;

DOI:10.1021/jm060186y

upstream raw materials:

3-methyl-2-phenyl-4H-1-benzopyran-4-one

1-(2-Hydroxy-phenyl)-propan-1-on

benzoyl chloride

2-benzoyloxypropiophenone

Downstream raw materials:

3-acetoxymethyl-2-phenyl-4H-chromen-4-one

3-(hydroxymethyl)-2-phenyl-4H-chromen-4-one

3-methyl-2-phenyl-4H-1-benzopyran-4-one

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