2,3-diphenyl-1H-indole-7-carboxylic acid

Base Information

• Chemical Name: 2,3-diphenyl-1H-indole-7-carboxylic acid
• CAS No.: 197313-74-9
• Molecular Formula: C21H15NO2
• Molecular Weight: 313.35
• Hs Code.: 2916399090
• UNII: 5BFF2LV9EF
• ChEMBL ID: CHEMBL406652
• DSSTox Substance ID: DTXSID30407427
• Metabolomics Workbench ID: 151827
• Wikidata: Q27097895
• Mol file: 197313-74-9.mol

Synonyms:2,3-diphenyl-1H-indole-7-carboxylic acid;197313-74-9;5BFF2LV9EF;1H-Indole-7-carboxylic acid, 2,3-diphenyl-;UNII-5BFF2LV9EF;Oprea1_402013;MLS000686717;CHEMBL406652;SCHEMBL6691511;BDBM26670;cid_5003498;diphenylindole carboxylic acid, 3;DTXSID30407427;HMS2757D14;HMS3604C16;AKOS001579639;DB08709;2,3-diphenyl-1H-indole-7-carboxylicacid;PD004192;SMR000339816;NS00068510;SR-01000395390;SR-01000395390-1;Q27097895;VX3

Chemical Property of 2,3-diphenyl-1H-indole-7-carboxylic acid

Chemical Property:

• Melting Point: 254-256 °C
• Boiling Point: 556.3±38.0 °C(Predicted)
• PKA: 4.45±0.10(Predicted)
• PSA: 53.09000
• Density: 1.279±0.06 g/cm3(Predicted)
• LogP: 5.20010
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 313.110278721
• Heavy Atom Count: 24
• Complexity: 439

Purity/Quality:

97% ^*data from raw suppliers

2,3-DIPHENYL-1H-INDOLE-7-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=C2C=CC=C3C(=O)O)C4=CC=CC=C4

Technology Process of 2,3-diphenyl-1H-indole-7-carboxylic acid

There total 3 articles about 2,3-diphenyl-1H-indole-7-carboxylic 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: 24.0%

phenyl benzyl ketone (451-40-1) + 2-hydrazinobenzoic acid hydrochloride (33906-30-8,52356-01-1) → 2,3-diphenyl-indole-7-carboxylic acid (197313-74-9)

Guidance literature:

phenyl benzyl ketone; 2-hydrazinobenzoic acid hydrochloride; In acetic acid; for 0.5h; Heating / reflux;

With hydrogenchloride; In water; acetic acid; for 4h; Heating / reflux;

Reference yield:

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2,3-diphenyl-1H-indole (3469-20-3) + 2,3-diphenyl-indole-7-carboxylic acid (197313-74-9)

Guidance literature:

at 150 ℃;

Reference yield:

2-bibenzyl-α-ylidenehydrazino-benzoic acid → 2,3-diphenyl-indole-7-carboxylic acid (197313-74-9)

Guidance literature:

With hydrogenchloride; acetic acid;

upstream raw materials:

2-hydroxy-2-phenylacetophenone

anthranilic acid

phenyl benzyl ketone

2-hydrazinobenzoic acid hydrochloride

Downstream raw materials:

2,3-diphenyl-indole-7-carboxylic acid anilide

2,3-diphenyl-indole-7-carboxylic acid amide

2,3-diphenyl-indole-7-carbonyl chloride

2,3-diphenyl-indole-7-carboxylic acid methyl ester

Refernces