1H-Indole-5-carbonitrile, 3-(4-hydroxybutyl)-

Base Information

• Chemical Name: 1H-Indole-5-carbonitrile, 3-(4-hydroxybutyl)-
• CAS No.: 914927-40-5
• Molecular Formula: C13H14N2O
• Molecular Weight: 214.267
• Hs Code.: 2933990090
• Mol file: 914927-40-5.mol

Synonyms:1H-Indole-5-carbonitrile, 3-(4-hydroxybutyl)-;3-(4-Hydroxybutyl)-1H-indole-5-carbonitrile;1H-Indole-5-carbonitrile, 3-(4-hydroxybuty

Chemical Property of 1H-Indole-5-carbonitrile, 3-(4-hydroxybutyl)-

Chemical Property:

• Boiling Point: 467℃
• Flash Point: 236℃
• PSA: 59.81000
• Density: 1.21
• LogP: 2.35458
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

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

3-(4-Hydroxybutyl)-1H-Indole-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-(4-Hydroxybutyl)-1H-Indole-5-carbonitrile is an impurity of Vilazodone (V265000), a combined serotonin specific reuptake inhibitor (SSRI) and 5-HT1A receptor partial agonist currently under clinical evaluation for the treatment of major depression.

Technology Process of 1H-Indole-5-carbonitrile, 3-(4-hydroxybutyl)-

There total 7 articles about 1H-Indole-5-carbonitrile, 3-(4-hydroxybutyl)- 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: 86.0%

3-(4-hydroxybutanoyl)-1H-indole-5-carbonitrile → 3-(4-hydroxybutyl)-1H-indole-5-carbonitrile (914927-40-5)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In water; acetonitrile; at 0 - 30 ℃; for 0.333333h;

Reference yield: 80.6%

3-(4-chlorobutanoyl)-1H-indole-5-carbonitrile (276863-95-7) → 3-(4-hydroxybutyl)-1H-indole-5-carbonitrile (914927-40-5)

Guidance literature:

With sodium tetrahydroborate; isopropyl alcohol; at 0 - 80 ℃; for 6h;

Reference yield: 60.0%

4-(2-(6-hydroxyhexylidene)hydrazinyl)benzonitrile → 3-(4-hydroxybutyl)-1H-indole-5-carbonitrile (914927-40-5)

Guidance literature:

With phosphoric acid; In water; toluene; for 3h; Time; Solvent; Reflux;

DOI:10.1080/00397911.2014.944268

upstream raw materials:

1H-indole-5-carbonitrile

3-(4-chlorobutanoyl)-1H-indole-5-carbonitrile

hexahydro-2H-oxepin-2-one

4-Aminobenzonitrile

Downstream raw materials:

vilazodone

Refernces

• 1、 -. "Substituted indole compounds, as well as using method and application thereof". . . Retrieved 2017/08/02.
• 2、 -. "SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS OF USE AND USE THEREOF". . . Retrieved 2016/12/22.