(S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate

Base Information

• Chemical Name: (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate
• CAS No.: 111441-88-4
• Molecular Formula: C19H16 O6
• Molecular Weight: 340.332
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70424911
• Wikidata: Q72499926
• Mol file: 111441-88-4.mol

Synonyms:111441-88-4;(S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate;Pinocembrin diacetate;[(2S)-5-acetyloxy-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] acetate;Pinocembrin, diacetate;Pinocembrindiacetate;(2S)-5,7-Bis(acetyloxy)-2,3-dihydro-2-phenyl-4H-1-benzopyran-4-one;DTXSID70424911;STL525515;AKOS016842522;(S)-4-oxo-2-phenylchromane-5,7-diyl diacetate;(2S)-4-oxo-2-phenyl-3,4-dihydro-2H-chromene-5,7-diyl diacetate

Chemical Property of (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate

Chemical Property:

• Melting Point: 122 °C
• Boiling Point: 530.1±50.0 °C(Predicted)
• PSA: 78.90000
• Density: 1.292±0.06 g/cm3(Predicted)
• LogP: 3.24370
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 340.09468823
• Heavy Atom Count: 25
• Complexity: 524

Purity/Quality:

99% ^*data from raw suppliers

PinocembrinDiacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC(=O)C
• Isomeric SMILES: CC(=O)OC1=CC2=C(C(=O)C[C@H](O2)C3=CC=CC=C3)C(=C1)OC(=O)C

Technology Process of (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate

There total 4 articles about (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate 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:

acetic anhydride (108-24-7) → Pinocembrin diacetate (111441-88-4)

Guidance literature:

With sulfuric acid;

Reference yield:

→ Pinocembrin diacetate (111441-88-4)

Guidance literature:

5,8-Dihydroxy-flavanon und Acetanhydrid (Schwefelsaeure);

Reference yield:

acetic anhydride (108-24-7) + pinocembrin (480-39-7,61490-55-9,68745-38-0) → 2S-5,7-dihydroxyflavanone diacetate (111441-88-4)

Guidance literature:

With pyridine;

DOI:10.1007/BF02329609

upstream raw materials:

acetic anhydride

pinocembrin

Downstream raw materials:

cardamomin

3,5,7-trihydroxy-2-phenylchroman-4-one

(+/-)-7-acetoxy-5-hydroxy-2-phenyl-chroman-4-one

Refernces