Phenanthrene-4,5-dicarboxylic acid

Base Information

• Chemical Name: Phenanthrene-4,5-dicarboxylic acid
• CAS No.: 5462-82-8
• Molecular Formula: C16H10 O4
• Molecular Weight: 266.253
• Hs Code.: 2917399090
• NSC Number: 16070
• DSSTox Substance ID: DTXSID60203055
• Nikkaji Number: J81.040A
• Wikidata: Q27155488
• Mol file: 5462-82-8.mol

Synonyms:NSC 16070

Chemical Property of Phenanthrene-4,5-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 5.21E-15mmHg at 25°C
• Melting Point: 244-246℃
• Boiling Point: 595.1°C at 760 mmHg
• Flash Point: 327.7°C
• PSA: 74.60000
• Density: 1.457g/cm³
• LogP: 3.38940
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.05790880
• Heavy Atom Count: 20
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

Phenanthrene-4,5-dicarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)C(=O)O)C3=C(C=CC=C3C(=O)O)C=C2

Technology Process of Phenanthrene-4,5-dicarboxylic acid

There total 8 articles about Phenanthrene-4,5-dicarboxylic acid 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: 91.0%

pyrene (129-00-0) → phenanthrene-4,5-dicarboxylic acid (5462-82-8)

Guidance literature:

With phosphoric acid; dihydrogen peroxide; Aliquat 336; tungstate; In chlorobenzene; at 80 ℃; for 6h;

DOI:10.1021/jo970344g

Reference yield: 86.0%

cis-4,5-Dihydro-4,5-dihydroxypyrene (51689-88-4,1251472-76-0,28622-70-0,56183-12-1) → phenanthrene-4,5-dicarboxylic acid (5462-82-8)

Guidance literature:

With 18-crown-6 ether; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

DOI:10.1016/S0040-4020(01)86519-4

Reference yield: 67.0%

→ 1-azapyren-2(1H)-one (64884-40-8) + phenanthrene-4,5-dicarboxylic acid (5462-82-8)

Guidance literature:

With sodium azide; sulfuric acid; In 1,2-dichloro-ethane; at 35 - 45 ℃; for 2h;

upstream raw materials:

5-cyano-phenanthrene-4-carbonyl chloride

5-formyl-4-phenanthroic acid

cis-4,5-Dihydro-4,5-dihydroxypyrene

5-<(hydroxyimino)methyl>phenanthrene-4-carboxylic acid

Downstream raw materials:

phenanthrene anhydride

5H-phenanthro<4,5-bcd>pyran-5-one

pyrene-4,5-dione

cyclopenta[def]phenanthren-4-one

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