1H-Indole-3-ylthio cyanide

Base Information

• Chemical Name: 1H-Indole-3-ylthio cyanide
• CAS No.: 23706-25-4
• Molecular Formula: C9H6N2S
• Molecular Weight: 174.226
• Hs Code.: 2933990090
• Mol file: 23706-25-4.mol

Synonyms:3-thiocyanato indole;3-thiocyano-indole;indole-3-thiocyanate;3-thiocyanato-1H-indole;Thiocyanic acid,1H-indol-3-yl ester;Thiocyanic acid,indol-3-yl ester;3-isothiocyanato-1H-indole;

Chemical Property of 1H-Indole-3-ylthio cyanide

Chemical Property:

• Vapor Pressure: 2.86E-06mmHg at 25°C
• Melting Point: 73-76 °C
• Boiling Point: 389.4°Cat760mmHg
• PKA: 14.82±0.30(Predicted)
• Flash Point: 189.3°C
• PSA: 64.88000
• Density: 1.36g/cm³
• LogP: 2.74108

Purity/Quality:

99%min ^*data from raw suppliers

3-THIOCYANATO-1H-INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Indole-3-ylthio cyanide

There total 2 articles about 1H-Indole-3-ylthio cyanide 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%

indole (120-72-9) + ammonium thiocyanate → 3-thiocyanatoindole (23706-25-4) + 3-chloro-1H-indole (16863-96-0)

Guidance literature:

ammonium thiocyanate; With N-chloro-succinimide; thiourea; In methanol; at 20 ℃; for 0.0833333h;

indole; In methanol; for 0.5h;

DOI:10.1002/cjoc.201600344

Reference yield: 60.0%

indole (120-72-9) + ammonium thiocyanate (1147550-11-5) → 5-bromo-1H-indole (10075-50-0) + 3-thiocyanatoindole (23706-25-4)

Guidance literature:

With N-Bromosuccinimide;

DOI:10.1055/s-2005-861852

Reference yield: 93.0%

3-thiocyanatoindole (23706-25-4) + phenylboronic acid (98-80-6) → benzonitrile (100-47-0)

Guidance literature:

With N,N,N-trimethyl-2-(sulfooxy)ethanaminium palladium(II) chloride; sodium carbonate; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; water; for 2h;

DOI:10.1080/17415993.2018.1469632

upstream raw materials:

indole

ammonium thiocyanate

Downstream raw materials:

indole-2,3-dione

3-(benzylsulfanyl)-1H-indole

1H-3-indolyl 1-phenallyl sulfide

3-(ethylsulfanyl)-1H-indole

Refernces

• 1、 Yadav,Reddy,Krishna,Suresh Reddy,Narsaiah. "Ferric(III) chloride-promoted electrophilic thiocyanation of aromatic and heteroaromatic compounds". . p. 961 - 964. Retrieved 2007/10/03.