3-Phenanthrenecarboxylic acid

Base Information

• Chemical Name: 3-Phenanthrenecarboxylic acid
• CAS No.: 7470-14-6
• Molecular Formula: C15H10O2
• Molecular Weight: 222.243
• Hs Code.: 2916399090
• NSC Number: 402374
• UNII: 6FIR95888W
• DSSTox Substance ID: DTXSID10225686
• Nikkaji Number: J49.997H
• Wikidata: Q72500800
• ChEMBL ID: CHEMBL1868119
• Mol file: 7470-14-6.mol

Synonyms:Phenanthrene-3-carboxylic acid;3-PHENANTHRENECARBOXYLIC ACID;7470-14-6;NSC 402374;BRN 2616044;6FIR95888W;NSC-402374;3-09-00-03498 (Beilstein Handbook Reference);Phenanthrene-3-carboxylicacid;Phenanthren-6-carbonsaure;MLS001181052;UNII-6FIR95888W;WLN: L B666J DVQ;SCHEMBL2469905;CHEMBL1868119;DTXSID10225686;HMS2782H13;MFCD00019106;NSC402374;AKOS015855890;AS-60117;SMR000475827;LS-102613;CS-0155975;FT-0657841;D70690;A838199;AE-562/12222198;J-513021

Chemical Property of 3-Phenanthrenecarboxylic acid

Chemical Property:

• Vapor Pressure: 2.37E-08mmHg at 25°C
• Melting Point: 270 °C
• Refractive Index: 1.743
• Boiling Point: 435.4 °C at 760 mmHg
• PKA: 4.20±0.30(Predicted)
• Flash Point: 194.8 °C
• PSA: 37.30000
• Density: 1.305 g/cm³
• LogP: 3.69120
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Very Slightly, Heated)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.068079557
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

Phenanthrene-3-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C(=O)O
• Uses: 3-Phenanthrenecarboxylic Acid is a useful building block.

Technology Process of 3-Phenanthrenecarboxylic acid

There total 13 articles about 3-Phenanthrenecarboxylic 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: 100.0%

1-(phenanthren-3-yl)ethanone (2039-76-1) → phenanthrene-3-carboxylic acid (7470-14-6)

Guidance literature:

With sodium hydroxide; sodium hypochlorite; In 1,4-dioxane; at 65 ℃; for 3h;

DOI:10.1055/s-2007-983744

Reference yield:

→ phenanthrene-3-carbaldehyde (7466-50-4) + phenanthrene-3-carboxylic acid (7470-14-6)

Guidance literature:

Reference yield:

oxalyl dichloride (79-37-8) + phenanthrene (85-01-8) → phenanthrene-3-carboxylic acid (7470-14-6)

Guidance literature:

With carbon disulfide; aluminium trichloride; at -15 ℃; Behandeln des Reaktionsgemisches mit Eis und wss. Salzsaeure;

DOI:10.1021/ja01347a046

upstream raw materials:

oxalyl dichloride

phenanthrene

3-bromophenanthrene

1-(phenanthren-3-yl)ethanone

Downstream raw materials:

carbon dioxide

phenanthrene

phenanthrenequinone-3-carboxylic acid

(2RS,3SR)-1-(phenanthren-3-ylcarbonyl)piperazine-2,3-dicarboxylic acid

Refernces

• 1、 Kawai, Takuma,Nakao, Satoshi,Nishide, Hiroyuki,Oyaizu, Kenichi. "Poly(diphenanthrenequinone-substituted norbornene) for long life and efficient lithium battery cathodes". . p. 721 - 727. Retrieved 2018/05/28.
• 2、 Saint-Cricq, Philippe,Pigot, Thierry,Nicole, Lionel,Sanchez, Clement,Lacombe, Sylvie. "Hybrid functional mesostructured thin films with photo-oxidative properties in the visible range". supporting information; experimental part. p. 5281 - 5283. Retrieved 2010/01/31.