(S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone

Base Information

• Chemical Name: (S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone
• CAS No.: 55743-21-0
• Molecular Formula: C16H14 O4
• Molecular Weight: 270.285
• European Community (EC) Number: 259-785-5
• DSSTox Substance ID: DTXSID10204294
• Nikkaji Number: J296.483J
• Wikidata: Q27138995
• Metabolomics Workbench ID: 123072
• ChEMBL ID: CHEMBL1269161
• Mol file: 55743-21-0.mol

Synonyms:55743-21-0;CRYPTOSTROBIN(P);EINECS 259-785-5;(S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone;CHEBI:70663;(2S)-8-methylpinocembrin;CHEMBL1269161;8-methylpinocembrin;DTXSID10204294;(2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one;BDBM50482879;AKOS040740307;(2S)-5,7-dihydroxy-8-methylflavanone;Q27138995;(2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one

Chemical Property of (S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone

Chemical Property:

• Vapor Pressure: 5.84E-11mmHg at 25°C
• Boiling Point: 508.4°Cat760mmHg
• Flash Point: 194.5°C
• PSA: 66.76000
• Density: 1.343g/cm³
• LogP: 3.11270
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 270.08920892
• Heavy Atom Count: 20
• Complexity: 364

Purity/Quality:

98%Min ^*data from raw suppliers

(S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3
• Isomeric SMILES: CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3

Technology Process of (S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone

There total 1 articles about (S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone 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:

→ (-)-cryptostrobin (55743-21-0)

Guidance literature:

aus Methylphloroglucin, Zimtsaeurechlorid;

Reference yield:

(-)-cryptostrobin (55743-21-0) → 2,4,6-trihydroxytoluene (88-03-9)

Guidance literature:

Erhitzen auf Siedetemperatur;

Reference yield:

(-)-cryptostrobin (55743-21-0) → (S)-(-)-6-bromo-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one (84314-27-2)

Guidance literature:

With bromine; In chloroform; for 30h; Ambient temperature;

Downstream raw materials:

5,7-dihydroxy-8-methylflavanone

5,7-dihydroxy-6-methylflavanone

2,4,6-trihydroxytoluene

(S)-(-)-6-bromo-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one