2,3-dihydro-1H-benzo[f]chromen-1-one

Base Information

• Chemical Name: 2,3-dihydro-1H-benzo[f]chromen-1-one
• CAS No.: 4707-36-2
• Molecular Formula: C13H10O2
• Molecular Weight: 198.221
• NSC Number: 157021
• UNII: R1JT1VV9Z3
• DSSTox Substance ID: DTXSID60197021
• Nikkaji Number: J3.118.284K
• Wikidata: Q83070001
• Mol file: 4707-36-2.mol

Synonyms:splitomicin

Chemical Property of 2,3-dihydro-1H-benzo[f]chromen-1-one

Chemical Property:

• Vapor Pressure: 4.71E-06mmHg at 25°C
• Refractive Index: 1.655
• Boiling Point: 382.5 °C at 760 mmHg
• Flash Point: 189.7 °C
• Density: 1.255 g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 198.068079557
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C1=O)C3=CC=CC=C3C=C2

Technology Process of 2,3-dihydro-1H-benzo[f]chromen-1-one

There total 7 articles about 2,3-dihydro-1H-benzo[f]chromen-1-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: 98.0%

3-(2-Naphthoxy)propionic acid (16563-43-2) → 2,3-dihydronaphtho[2,1-b]pyran-1-one (4707-36-2)

Guidance literature:

3-(2-naphthalenyloxy)propionic acid; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 5h;

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/adsc.201500288

Reference yield: 82.0%

2-(3-Bromo-prop-2-ynyloxy)-naphthalene (52218-41-4) → 2,3-dihydronaphtho[2,1-b]pyran-1-one (4707-36-2)

Guidance literature:

With mercury(II) trifluoroacetate; In dichloromethane; for 6h; Ambient temperature;

DOI:10.1039/c39880000034

Reference yield: 80.0%

3-(naphthalen-2-yloxy)propanenitrile (14233-72-8) → 2,3-dihydronaphtho[2,1-b]pyran-1-one (4707-36-2)

Guidance literature:

With sulfuric acid; at 0 - 20 ℃;

DOI:10.1021/acs.joc.8b02507

upstream raw materials:

3-(naphthalen-2-yloxy)propanenitrile

3-(2-Naphthoxy)propionic acid

2-(3-Bromo-prop-2-ynyloxy)-naphthalene

sulfuric acid

Downstream raw materials:

9-hydroxy-1-oxophenalene

9-phenyl-8H-7-oxa-16-oxoniaphenanthro<3,4-k>fluoranthene trifluoromethanesulphonate

4-phenyl-2-t-butyl-5H-6-oxa-1-oxoniabenzophenanthrene trifluoromethanesulphonate

4-chloro-3-formyl-1-oxa-1,2-dihydrophenanthrene

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