3-[4-(Benzyloxy)phenyl]-2H-1-benzopyran-2-one

Base Information

• Chemical Name: 3-[4-(Benzyloxy)phenyl]-2H-1-benzopyran-2-one
• CAS No.: 100297-82-3
• Molecular Formula: C22H16O3
• Molecular Weight: 328.367
• DSSTox Substance ID: DTXSID90543936
• Nikkaji Number: J3.236.609K
• Wikidata: Q82420906
• Mol file: 100297-82-3.mol

Synonyms:100297-82-3;3-[4-(Benzyloxy)phenyl]-2H-1-benzopyran-2-one;3-(4-phenylmethoxyphenyl)chromen-2-one;3-(4-benzyloxyphenyl)coumarin;SCHEMBL15398237;DTXSID90543936

Chemical Property of 3-[4-(Benzyloxy)phenyl]-2H-1-benzopyran-2-one

Chemical Property:

• PSA: 39.44000
• LogP: 5.03900
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 328.109944368
• Heavy Atom Count: 25
• Complexity: 484

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC4=CC=CC=C4OC3=O

Technology Process of 3-[4-(Benzyloxy)phenyl]-2H-1-benzopyran-2-one

There total 3 articles about 3-[4-(Benzyloxy)phenyl]-2H-1-benzopyran-2-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: 69.0%

carbon monoxide (201230-82-2) + salicylaldehyde (90-02-8) + 4-benzyloxybenzyl chloride (836-42-0) → 3-(4-(benzyloxy)phenyl)-2H-chromen-2-one (100297-82-3)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine; In 1,4-dioxane; at 100 ℃; for 16h; under 7500.75 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/chem.201301774

Reference yield: 68.0%

1-(benzyloxy)-4-(2,2-difluorovinyl)benzene (1432484-52-0) + salicylaldehyde (90-02-8) → 3-(4-(benzyloxy)phenyl)-2H-chromen-2-one (100297-82-3)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/acs.joc.7b01635

Reference yield: 36.5%

2-[4-(benzyloxy)benzyl]acetic acid (6547-53-1) + salicylaldehyde (90-02-8) → 3-(4-(benzyloxy)phenyl)-2H-chromen-2-one (100297-82-3)

Guidance literature:

With sodium acetate; acetic anhydride; at 130 ℃; for 5h;

upstream raw materials:

carbon monoxide

salicylaldehyde

4-benzyloxybenzyl chloride

2-[4-(benzyloxy)benzyl]acetic acid

Downstream raw materials:

3-(4-hydroxyphenyl)-2H-chromen-2-one

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