Fendosal

Base Information

• Chemical Name: Fendosal
• CAS No.: 53597-27-6
• Molecular Formula: C25H19NO3
• Molecular Weight: 381.431
• Hs Code.: 2933990090
• NSC Number: 351522
• UNII: 9Z709558TZ
• DSSTox Substance ID: DTXSID80201811
• Nikkaji Number: J10.062E
• Wikidata: Q27273407
• NCI Thesaurus Code: C80549
• ChEMBL ID: CHEMBL2106146
• Mol file: 53597-27-6.mol

Synonyms:5-(4,5-dihydro-2-phenyl-3H-benz(e)indol-3-yl)salicylic acid;Alnovin;fendosal;HP 129

Chemical Property of Fendosal

Chemical Property:

• Vapor Pressure: 7.08E-18mmHg at 25°C
• Melting Point: 223-225oC
• Refractive Index: 1.68
• Boiling Point: 651.8 °C at 760 mmHg
• PKA: 2.40±0.10(Predicted)
• Flash Point: 348 °C
• PSA: 62.46000
• Density: 1.29 g/cm³
• LogP: 5.31370
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 381.13649347
• Heavy Atom Count: 29
• Complexity: 589

Purity/Quality:

98%min ^*data from raw suppliers

5-(4,5-Dihydro-2-phenyl-3H-benz[e]indol-3-yl)-salicylic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C(N2C3=CC(=C(C=C3)O)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C51
• Uses: Anti-inflammatory.

Technology Process of Fendosal

There total 3 articles about Fendosal 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: 50.0%

1-(2-oxo-2-phenyl-ethyl)-3,4-dihydro-1H-naphthalen-2-one (57859-83-3) + 5-Aminosalicylic Acid (89-57-6) → 3-(3-carboxy-4-hydroxyphenyl)-4,5-dihydro-2-phenylbenz[e]indole (53597-27-6)

Guidance literature:

With acetic acid; for 2h; Heating / reflux;

Reference yield:

α-bromoacetophenone (70-11-1) → 3-(3-carboxy-4-hydroxyphenyl)-4,5-dihydro-2-phenylbenz[e]indole (53597-27-6)

Guidance literature:

Multi-step reaction with 2 steps

1: water; toluene

2: acetic acid

In water; acetic acid; toluene;

Reference yield:

→ 3-(3-carboxy-4-hydroxyphenyl)-4,5-dihydro-2-phenylbenz[e]indole (53597-27-6)

Guidance literature:

Diketon E24a, 5-Aminosalicylsaeure;

upstream raw materials:

1-(2-oxo-2-phenyl-ethyl)-3,4-dihydro-1H-naphthalen-2-one

5-Aminosalicylic Acid

α-bromoacetophenone

Downstream raw materials:

3-(3-Carbamoyl-4-hydroxyphenyl)-4,5-dihydro-2-phenylbenz[e]indole

4,5-Dihydro-3-(3-N-ethylcarbamoyl-4-hydroxyphenyl)-2-phenylbenz[e]indole

4,5-Dihydro-3-(3-N-hydroxycarbamoyl-4-hydroxyphenyl)-2-phenylbenz[e]indole

3-(3-N,N-Diethylcarbamoyl-4-hydroxyphenyl)-4,5-dihydro-2-phenylbenz[e]indole

Refernces

• 1、 -. "COMPOUNDS FOR ALZHEIMER'S DISEASE". Page/Page column 147. . Retrieved 2008/06/13.
• 2、 -. "Method of treatment with and compositions containing condensed pyrroles bearing an N-phenyl substituent". . . Retrieved 2008/06/13.