1-Hydroxy-2-phenylindole

Base Information

• Chemical Name: 1-Hydroxy-2-phenylindole
• CAS No.: 1859-39-8
• Molecular Formula: C14H11 N O
• Molecular Weight: 209.247
• Hs Code.: 2933990090
• European Community (EC) Number: 217-460-5
• NSC Number: 176883
• UNII: K8ZP002FC9
• DSSTox Substance ID: DTXSID8062022
• Nikkaji Number: J199.674F
• Wikidata: Q81989799
• Mol file: 1859-39-8.mol

Synonyms:1-Hydroxy-2-phenylindole;1859-39-8;2-phenyl-1H-indol-1-ol;1-Hydroxy-2-phenyl-1H-indole;1H-Indole, 1-hydroxy-2-phenyl-;Indole, 1-hydroxy-2-phenyl-;N-Hydroxy-2-phenylindole;K8ZP002FC9;EINECS 217-460-5;NSC 176883;NSC-176883;NSC176883;2-Phenyl-1H-indole-1-ol;UNII-K8ZP002FC9;Oprea1_224444;SCHEMBL3285152;DTXSID8062022;HMS1654F05;STL487461;AKOS000809471;EN300-189927;Z57301374;F1754-0021

Chemical Property of 1-Hydroxy-2-phenylindole

Chemical Property:

• Vapor Pressure: 2.22E-08mmHg at 25°C
• Melting Point: 172 °C(Solv: ethanol (64-17-5))
• Boiling Point: 440.8°C at 760 mmHg
• PKA: 12.94±0.58(Predicted)
• Flash Point: 220.4°C
• PSA: 25.16000
• Density: 1.15g/cm³
• LogP: 3.54560
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2O

Technology Process of 1-Hydroxy-2-phenylindole

There total 9 articles about 1-Hydroxy-2-phenylindole 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: 94.0%

2-(2-nitrophenyl)-1-phenylethanone (4212-33-3) → 2-phenyl-N-hydroxyindole (1859-39-8)

Guidance literature:

With Piperonyl butoxide; triethylammonium formate; In methanol; at 55 ℃; for 12h;

DOI:10.1021/jo035351l

Reference yield: 84.0%

N-(2-phenylethynyl)phenylhydroxylamine → 2-phenyl-N-hydroxyindole (1859-39-8)

Guidance literature:

With palladium dichloride; In acetonitrile; at 20 ℃; for 0.5h; Reagent/catalyst; Solvent;

DOI:10.1002/bkcs.12285

Reference yield: 60.0%

(E)-2-nitrostilbene (4264-29-3) → 2-phenyl-N-hydroxyindole (1859-39-8)

Guidance literature:

With sodium t-butanolate; In tetrahydrofuran; at 25 ℃; for 40h; Reagent/catalyst; Solvent; Temperature; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.202104319

upstream raw materials:

2-(2-nitrophenyl)-1-phenylethanone

2-nitrostilbene

phenylacetylene

1-nitro-2-phenylethynyl-benzene

Downstream raw materials:

2-phenylisatogen

2-phenyl-1H-indol-3-yl 4-methylbenzenesulfonate

3-(2-oxocyclohexyl)-2-phenylindole

2-phenyl-indole