(2-Phenyl-1H-indol-1-yl)acetate

Base Information

• Chemical Name: (2-Phenyl-1H-indol-1-yl)acetate
• CAS No.: 62663-25-6
• Molecular Formula: C16H12NO2-
• Molecular Weight: 251.285
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30978243
• Wikidata: Q82963579
• Mol file: 62663-25-6.mol

Synonyms:DTXSID30978243;(2-Phenyl-1H-indol-1-yl)acetate

Chemical Property of (2-Phenyl-1H-indol-1-yl)acetate

Chemical Property:

• Vapor Pressure: 9.83E-11mmHg at 25°C
• Boiling Point: 497.9°Cat760mmHg
• Flash Point: 254.9°C
• PSA: 42.23000
• Density: 1.19g/cm³
• LogP: 3.39290
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 250.086803626
• Heavy Atom Count: 19
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

(2-Phenyl-1H-indol-1-yl)acetic acid ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(=O)[O-]

Technology Process of (2-Phenyl-1H-indol-1-yl)acetate

There total 6 articles about (2-Phenyl-1H-indol-1-yl)acetate 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: 48.6%

ethyl 2-(2-phenyl-1H-indol-1-yl)acetate (65746-57-8) → 2-(2-phenyl-1H-indol-1-yl)acetic acid (62663-25-6)

Guidance literature:

With sodium hydroxide; In ethanol; at 80 ℃; for 0.5h;

DOI:10.1080/00397910500212965

Reference yield:

2-phenyl-indole (948-65-2) → 2-(2-phenyl-1H-indol-1-yl)acetic acid (62663-25-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / dimethylformamide / 8 h / 20 °C

2: NaOH / ethanol / 0.5 h / 80 °C

With sodium hydroxide; sodium hydride; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2005.07.050

Reference yield:

methyl 2-(2-phenyl-1H-indol-1-yl)acetate → 2-(2-phenyl-1H-indol-1-yl)acetic acid (62663-25-6)

Guidance literature:

With sodium hydroxide; In methanol; at 100 ℃;

DOI:10.1016/j.bmcl.2017.04.045

upstream raw materials:

ethyl 2-(2-phenyl-1H-indol-1-yl)acetate

2-phenyl-indole

2-(2-phenyl-indol-1-yl)-propionic acid ethyl ester

2-(2-phenyl-1H-indol-1-yl)propionic acid

Downstream raw materials:

2-phenyl-indole

1-(2-phenyl-1H-indol-1-yl)propan-2-one

2-(2-phenyl-indol-1-yl)-propionic acid ethyl ester

2-(2-phenyl-1H-indol-1-yl)propanol

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