(4S)-4-Phenyl-3,4-dihydrochromen-2-one

Base Information

• Chemical Name: (4S)-4-Phenyl-3,4-dihydrochromen-2-one
• CAS No.: 61198-52-5
• Molecular Formula: C15H12O2
• Molecular Weight: 224.259
• DSSTox Substance ID: DTXSID00481810
• Nikkaji Number: J1.265.472C
• Wikidata: Q82317454
• Mol file: 61198-52-5.mol

Synonyms:61198-52-5;(4S)-4-Phenyl-3,4-dihydrochromen-2-one;(S)-4-Phenylchroman-2-one;SCHEMBL14852665;DTXSID00481810;(4S)-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one

Chemical Property of (4S)-4-Phenyl-3,4-dihydrochromen-2-one

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 281

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=CC=CC=C2OC1=O)C3=CC=CC=C3
• Isomeric SMILES: C1[C@H](C2=CC=CC=C2OC1=O)C3=CC=CC=C3

Technology Process of (4S)-4-Phenyl-3,4-dihydrochromen-2-one

There total 65 articles about (4S)-4-Phenyl-3,4-dihydrochromen-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: 99.0%

(E)-3-phenylacrylic acid (140-10-3) + phenol (108-95-2,27073-41-2) → 3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one (61198-52-5,51737-00-9)

Guidance literature:

With toluene-4-sulfonic acid; at 125 ℃; for 3h;

DOI:10.1016/j.tetlet.2007.05.059

Reference yield: 95.0%

Cinnamic acid (621-82-9) + phenol (108-95-2,27073-41-2) → 3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one (61198-52-5,51737-00-9)

Guidance literature:

With 1-methyl-2-oxopyrrolidinium hydrogen sulfate; In neat liquid; at 120 ℃; for 5h;

DOI:10.1007/s11164-016-2471-5

Reference yield: 95.0%

triphenylboroxine (3262-89-3) + (E)-ethyl 2-hydroxycinnamate (3943-94-0,17041-46-2,6236-62-0) → 3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one (61198-52-5,51737-00-9)

Guidance literature:

With hydroxo(1,5-cyclooctadiene)rhodium (I) dimer; triethylamine; In tetrahydrofuran; at 100 ℃; for 2h;

DOI:10.1021/ol100610v

upstream raw materials:

3-(2-methoxyphenyl)-3-phenylpropanoic acid

coumarin

benzene

Methyl cinnamate

Downstream raw materials:

2-(3-hydroxy-1-phenylpropyl)phenol

(±)-4-phenylchroman-2-ol

cis-2,4-diphenylchroman

2,4-Diphenyl-2H-benzopyran