1,4-Dimethylphenanthrene

Base Information

• Chemical Name: 1,4-Dimethylphenanthrene
• CAS No.: 22349-59-3
• Molecular Formula: C16H14
• Molecular Weight: 206.287
• Hs Code.: 2902909090
• UNII: 2A1M5X06OV
• DSSTox Substance ID: DTXSID30176883
• Nikkaji Number: J69.561K
• Wikidata: Q27155953
• Mol file: 22349-59-3.mol

Synonyms:1,4-dimethylphenanthrene

Chemical Property of 1,4-Dimethylphenanthrene

Chemical Property:

• Vapor Pressure: 2.76E-05mmHg at 25°C
• Melting Point: 50.4°C
• Refractive Index: 1.6582 (estimate)
• Boiling Point: 368.1 °C at 760 mmHg
• Flash Point: 167.4 °C
• PSA: 0.00000
• Density: 1.084 g/cm³
• LogP: 4.60980
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 206.109550447
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

1,4-DIMETHYLPHENANTHRENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C=C1)C

Technology Process of 1,4-Dimethylphenanthrene

There total 35 articles about 1,4-Dimethylphenanthrene 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: 84.0%

5,8-epoxy-1,4-dimethyl-5,8-dihydrophenanthrene (123674-36-2) → 1,4-dimethylphenanthrene (22349-59-3)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In acetonitrile; for 3h; Ambient temperature;

DOI:10.1021/jo00285a011

Reference yield: 78.0%

1,4-dimethyl-1,4-epoxy-1,4-dihydrophenanthrene (123674-39-5) → 1,4-dimethylphenanthrene (22349-59-3)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In acetonitrile; for 3h; Ambient temperature;

DOI:10.1021/jo00285a011

Reference yield: 72.0%

4-cyano-1,2-dimethyl-3-(methylthio)phenanthrene → 1,4-dimethylphenanthrene (22349-59-3)

Guidance literature:

With nickel; In ethanol; Heating;

DOI:10.1016/j.tet.2004.02.053

upstream raw materials:

1,4-dimethyl-1,2,3,4-tetrahydro-phenanthrene

5,8-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene

4a,5,8-trimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene

1,4-dimethyl-4-hydroxy-1,2,3,4-tetrahydrophenanthrene

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