1H-Indole-3-propanoic acid, 1-[(4-fluorophenyl)methyl]-

Base Information

• Chemical Name: 1H-Indole-3-propanoic acid, 1-[(4-fluorophenyl)methyl]-
• CAS No.: 219544-69-1
• Molecular Formula: C18H16FNO2
• Molecular Weight: 297.329
• DSSTox Substance ID: DTXSID00444849
• Wikidata: Q82263124
• Mol file: 219544-69-1.mol

Synonyms:1H-Indole-3-propanoic acid, 1-[(4-fluorophenyl)methyl]-;219544-69-1;DTXSID00444849;AKOS000262555;CCG-139931

Chemical Property of 1H-Indole-3-propanoic acid, 1-[(4-fluorophenyl)methyl]-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 297.11650692
• Heavy Atom Count: 22
• Complexity: 381

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)CCC(=O)O

Technology Process of 1H-Indole-3-propanoic acid, 1-[(4-fluorophenyl)methyl]-

There total 5 articles about 1H-Indole-3-propanoic acid, 1-[(4-fluorophenyl)methyl]- 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: 84.0%

3-[1-(4-fluoro-benzyl)-1H-indol-3-yl]-propionic acid 4-fluoro-benzyl ester (404018-08-2) → 3-<1-(4-fluorobenzyl)indol-3-yl>propionic acid (219544-69-1)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

Reference yield:

3-[1-(4-fluoro-benzyl)-1H-indol-3-yl]-propionic acid ethyl ester (221188-36-9) → 3-<1-(4-fluorobenzyl)indol-3-yl>propionic acid (219544-69-1)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1021/jm981079+

Reference yield:

Indole-3-propionic acid (830-96-6) → 3-<1-(4-fluorobenzyl)indol-3-yl>propionic acid (219544-69-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 1 M HCl / 1.5 h / Heating

2: 1.) NaH / 1.) DMSO, RT, 0.5 h, 2.) DMSO, RT, 12 h

3: 6 M NaOH / ethanol / 1 h / Heating

With hydrogenchloride; sodium hydroxide; sodium hydride; In ethanol;

DOI:10.1021/jm981079+

upstream raw materials:

Indole-3-propionic acid

4-Fluorobenzyl bromide

3-[1-(4-fluoro-benzyl)-1H-indol-3-yl]-propionic acid ethyl ester

3-[1-(4-fluoro-benzyl)-1H-indol-3-yl]-propionic acid 4-fluoro-benzyl ester

Downstream raw materials:

C₃₂H₂₈FN₃O₄