2-(Phenanthrene-9-carbonyl)benzoic acid

Base Information

• Chemical Name: 2-(Phenanthrene-9-carbonyl)benzoic acid
• CAS No.: 66859-11-8
• Molecular Formula: C22H14O3
• Molecular Weight: 326.351
• DSSTox Substance ID: DTXSID90498179
• Wikidata: Q82348071
• Mol file: 66859-11-8.mol

Synonyms:2-(PHENANTHRENE-9-CARBONYL)BENZOIC ACID;66859-11-8;DTXSID90498179

Chemical Property of 2-(Phenanthrene-9-carbonyl)benzoic acid

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 326.094294304
• Heavy Atom Count: 25
• Complexity: 513

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(=O)C4=CC=CC=C4C(=O)O

Technology Process of 2-(Phenanthrene-9-carbonyl)benzoic acid

There total 4 articles about 2-(Phenanthrene-9-carbonyl)benzoic 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:

phthalic anhydride (85-44-9) → 2-(phenanthrene-9-carbonyl)-benzoic acid (66859-11-8) + 3,3-di-[9]phenanthryl-phthalide

Guidance literature:

With benzene;

DOI:10.1021/ja01273a016

Reference yield:

9-bromophenanthrene (573-17-1) → 2-(phenanthrene-9-carbonyl)-benzoic acid (66859-11-8)

Guidance literature:

Multi-step reaction with 2 steps

1: magnesium

2: benzene / 2 h / Heating

With magnesium; In benzene;

Reference yield:

phthalic anhydride (85-44-9) + 9-phenanthrylmagnesium bromide (71112-64-6) → 2-(phenanthrene-9-carbonyl)-benzoic acid (66859-11-8)

Guidance literature:

With dibutyl ether;

DOI:10.1039/jr9350001367

upstream raw materials:

phthalic anhydride

9-phenanthrylmagnesium bromide

diethyl ether

9-bromophenanthrene

Downstream raw materials:

9,14-dihydrobenzo[f]tetraphene

Methyl-2-(9'-phenanthroyl)benzoat

2-(phenanthrene-9-carbonyl)-benzoyl chloride

2-[9]phenanthrylmethyl-benzoic acid