2-chloro-2-phenyl-1H-phenalene-1,3(2H)-dione

Base Information

• Chemical Name: 2-chloro-2-phenyl-1H-phenalene-1,3(2H)-dione
• CAS No.: 5084-47-9
• Molecular Formula: C19H11ClO2
• Molecular Weight: 306.7424
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30381672
• Wikidata: Q82172645
• Mol file: 5084-47-9.mol

Synonyms:2-chloro-2-phenyl-1H-phenalene-1,3(2H)-dione;5084-47-9;1H-Phenalene-1,3(2H)-dione, 2-chloro-2-phenyl-;DTXSID30381672

Chemical Property of 2-chloro-2-phenyl-1H-phenalene-1,3(2H)-dione

Chemical Property:

• Vapor Pressure: 7.88E-10mmHg at 25°C
• Boiling Point: 492.1°Cat760mmHg
• Flash Point: 206.3°C
• PSA: 34.14000
• Density: 1.39g/cm³
• LogP: 4.35310
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 306.0447573
• Heavy Atom Count: 22
• Complexity: 450

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)Cl

Technology Process of 2-chloro-2-phenyl-1H-phenalene-1,3(2H)-dione

There total 5 articles about 2-chloro-2-phenyl-1H-phenalene-1,3(2H)-dione 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: 88.0%

2-phenyl-2,3-dihydro-1H-1,3-phenalenedione (55994-35-9) → 2-chloro-2-phenylphenalene-1,3(2H)-dione (5084-47-9)

Guidance literature:

With sulfuryl dichloride; In 1,4-dioxane; Heating;

DOI:10.1007/BF00811290

Reference yield: 57.0%

3-hydroxy-2-phenyl-1H-phenalen-1-one (13148-22-6) → 2-chloro-2-phenylphenalene-1,3(2H)-dione (5084-47-9)

Guidance literature:

With sulfuryl dichloride; In diethyl ether; for 1h; Heating;

Reference yield:

phenylacetic acid (103-82-2) → 2-chloro-2-phenylphenalene-1,3(2H)-dione (5084-47-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 30 percent / sodium acetate / 2 h / 240 °C

2: 57 percent / SO₂Cl₂ / diethyl ether / 1 h / Heating

With sulfuryl dichloride; sodium acetate; In diethyl ether;

upstream raw materials:

3-hydroxy-2-phenyl-1H-phenalen-1-one

2-phenyl-2,3-dihydro-1H-1,3-phenalenedione

phenylacetic acid

1,8-Naphthalic anhydride

Downstream raw materials:

2-phenylamino-2-phenylphenalene-1,3(2H)-dione

2-m-tolylamino-2-phenylphenalene-1,3-(2H)-dione

2-Hydroxy-2-phenyl-phenalen-1,3-dion

2-p-tolylamino-2-phenylphenalene-1,3-(2H)-dione