1,2-Dihydro-4-phenanthrenecarboxylic acid

Base Information

• Chemical Name: 1,2-Dihydro-4-phenanthrenecarboxylic acid
• CAS No.: 64330-19-4
• Molecular Formula: C₁₅H₁₂O₂
• Molecular Weight: 224.259
• NSC Number: 139677
• UNII: D1I3R6W2LF
• DSSTox Substance ID: DTXSID20214541
• Nikkaji Number: J997.963H
• Wikidata: Q83090407
• ChEMBL ID: CHEMBL2005180
• Mol file: 64330-19-4.mol

Synonyms:1,2-dihydroPCA;1,2-dihydrophenanthrene-4-carboxylic acid

Chemical Property of 1,2-Dihydro-4-phenanthrenecarboxylic acid

Chemical Property:

• Vapor Pressure: 2.15E-07mmHg at 25°C
• Boiling Point: 408.1°C at 760 mmHg
• Flash Point: 185.6°C
• Density: 1.289g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C(=C1)C(=O)O)C3=CC=CC=C3C=C2

Technology Process of 1,2-Dihydro-4-phenanthrenecarboxylic acid

There total 1 articles about 1,2-Dihydro-4-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:

ethyl 4-(naphthalen-2-yl)butanoate (6326-90-5) + oxalic acid diethyl ester (95-92-1) → 1,2-dihydro-phenanthrene-4-carboxylic acid (64330-19-4)

Guidance literature:

With ethanol; potassium ethoxide; Erhitzen des Reaktionsprodukts mit wss. H₂SO₄;

DOI:10.1021/ja01558a056

upstream raw materials:

ethyl 4-(naphthalen-2-yl)butanoate

oxalic acid diethyl ester