7-(Cyanomethoxy)indole

Base Information

• Chemical Name: 7-(Cyanomethoxy)indole
• CAS No.: 135328-50-6
• Molecular Formula: C10H8N2O
• Molecular Weight: 172.186
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50567613
• Wikidata: Q82453542
• Mol file: 135328-50-6.mol

Synonyms:7-(CYANOMETHOXY)INDOLE;135328-50-6;2-((1H-Indol-7-yl)oxy)acetonitrile;2-(1H-indol-7-yloxy)acetonitrile;[(1H-Indol-7-yl)oxy]acetonitrile;7-cyanomethoxyindole;7-Cyanomethoxy indole;SCHEMBL4209359;DTXSID50567613;(1H-Indol-7-yloxy)-acetonitrile;BFLZDIZKCIZTFL-UHFFFAOYSA-N;AKOS006278985;C-8940

Chemical Property of 7-(Cyanomethoxy)indole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.654
• Boiling Point: 394.521°C at 760 mmHg
• Flash Point: 192.4°C
• PSA: 48.81000
• Density: 1.268g/cm³
• LogP: 2.07028
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.063662883
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

98% ^*data from raw suppliers

7-(Cyanomethoxy)indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)OCC#N)NC=C2

Technology Process of 7-(Cyanomethoxy)indole

There total 7 articles about 7-(Cyanomethoxy)indole 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:

7-Indolol (2380-84-9) + cyanomethyl bromide (590-17-0) → 7-(Cyanomethoxy)indole (135328-50-6)

Guidance literature:

With potassium carbonate; In butanone; for 1h; Yield given; Heating;

DOI:10.1080/00397919108020827

Reference yield:

7-Indolol (2380-84-9) + chloroacetonitrile (107-14-2) → 7-(Cyanomethoxy)indole (135328-50-6)

Guidance literature:

With potassium carbonate; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/op060036x

Reference yield:

7-(diphenylmethoxy)indole (135328-49-3) → 7-(Cyanomethoxy)indole (135328-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pearlman's catalyst / methanol; toluene / 1 h / 2585.7 Torr / Ambient temperature

2: K₂CO₃ / butan-2-one / 1 h / Heating

With hydrogen; potassium carbonate; palladium dihydroxide; In methanol; toluene; butanone;

DOI:10.1080/00397919108020827

upstream raw materials:

7-Indolol

cyanomethyl bromide

benzhydryl-(2-nitro-phenyl)-ether

7-(diphenylmethoxy)indole

Downstream raw materials:

5-(3-bromophenyl)-5-(7-cyanomethoxy-1H-indole)pentanenitrile

1-[3-(1,3-Dioxolan-2-yl)benzyl]-7-cyanomethoxy indole

Refernces

• 1、 -. "AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS". Page 57. . Retrieved 2010/02/07.
• 2、 -. "Certain indole derivatives useful as leukotriene antagonists". . . Retrieved 2008/06/13.