Neoflavan

Base Information

• Chemical Name: Neoflavan
• CAS No.: 21763-04-2
• Molecular Formula: C15H14 O
• Molecular Weight: 210.276
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60396951
• Nikkaji Number: J966.348G
• Wikipedia: Neoflavan
• Wikidata: Q668670
• Metabolomics Workbench ID: 55272
• Mol file: 21763-04-2.mol

Synonyms:4-Phenylchroman;neoflavan;4-phenylchromane;21763-04-2;3,4-dihydro-4-phenyl-2H-1-benzopyran;4-phenyl-chroman;SCHEMBL2485975;CHEBI:36099;DTXSID60396951;4-phenyl-3,4-dihydro-2H-1-benzopyran;Q668670

Chemical Property of Neoflavan

Chemical Property:

• Vapor Pressure: 0.000968mmHg at 25°C
• Boiling Point: 312.5°C at 760 mmHg
• Flash Point: 138.5°C
• PSA: 9.23000
• Density: 1.098g/cm³
• LogP: 3.60100
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=CC=CC=C2C1C3=CC=CC=C3

Technology Process of Neoflavan

There total 25 articles about Neoflavan 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: 90.0%

1-methoxy-4-((3-phenylprop-2-yn-1-yl)oxy)benzene (93021-93-3) → 3-iodo-6-methoxy-4-phenyl-2H-benzopyran + 3,4-dihydro-4-phenyl-2H-chromene (21763-04-2)

Guidance literature:

With iodine; In water; at 20 ℃; for 2h;

DOI:10.1039/b500303b

Reference yield: 80.0%

4-phenyl-2H-benzo[b]pyran (51870-64-5) → 3,4-dihydro-4-phenyl-2H-chromene (21763-04-2)

Guidance literature:

With trifluoroacetic acid;

DOI:10.1021/ol034177k

Reference yield: 70.0%

1-(3-Phenoxy-1-phenyl-propyl)-1H-benzotriazole → 3,4-dihydro-4-phenyl-2H-chromene (21763-04-2)

Guidance literature:

With zinc dibromide; In 1,2-dichloro-benzene; at 170 ℃; for 24h;

DOI:10.1021/jo972156w

upstream raw materials:

chromane

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

bromobenzene

2,3-dihydro-4H-1-benzopyran-4-one

Downstream raw materials:

2-(1-phenylpropyl)phenol

(2-hydroxy-phenyl)-phenyl-acetic acid