Indole, 3-(1,3-dithiolan-2-YL)-

Base Information

• Chemical Name: Indole, 3-(1,3-dithiolan-2-YL)-
• CAS No.: 36104-60-6
• Molecular Formula: C11H11NS2
• Molecular Weight: 221.347
• UNII: 2RZ4U5VRS9
• DSSTox Substance ID: DTXSID80189685
• Nikkaji Number: J41.055A
• Wikidata: Q83061884
• Mol file: 36104-60-6.mol

Synonyms:3-(1,3-dithiolan-2-yl)-1H-indole;36104-60-6;INDOLE, 3-(1,3-DITHIOLAN-2-YL)-;BRN 1075353;1,3-Dithiolane, 2-(3-indolyl)-;(Indolyl-3)-2 dithiolanne-1,3 [French];(Indolyl-3)-2 dithiolanne-1,3;1H-Indole, 3-(1,3-dithiolan-2-yl)-;2RZ4U5VRS9;DTXSID80189685;2-(3'-Indolyl)-1,3-dithiolane;LS-83050

Chemical Property of Indole, 3-(1,3-dithiolan-2-YL)-

Chemical Property:

• Vapor Pressure: 1.14E-07mmHg at 25°C
• Boiling Point: 444.2°Cat760mmHg
• Flash Point: 222.4°C
• PSA: 66.39000
• Density: 1.347g/cm³
• LogP: 3.64650
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.03329170
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

3-(1,3-DITHIOLAN-2-YL)-1H-INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CSC(S1)C2=CNC3=CC=CC=C32

Technology Process of Indole, 3-(1,3-dithiolan-2-YL)-

There total 5 articles about Indole, 3-(1,3-dithiolan-2-YL)- 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: 93.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + ethane-1,2-dithiol (540-63-6) → 3-(1,3-dithiolan-2-yl)-1H-indole (36104-60-6)

Guidance literature:

With graphene oxide; In neat (no solvent); at 20 ℃; for 5h; chemoselective reaction; Green chemistry;

DOI:10.1016/j.tetlet.2014.10.043

Reference yield: 81.0%

indole (120-72-9) + 2-ethoxy-[1,3]dithiolane (65225-59-4) → 3-(1,3-dithiolan-2-yl)-1H-indole (36104-60-6)

Guidance literature:

With acetic acid; for 14h; Ambient temperature;

DOI:10.1246/bcsj.54.2120

Reference yield: 33.0%

indole (120-72-9) + 2-ethoxy-[1,3]dithiolane (65225-59-4) → 3-(1,3-dithiolan-2-yl)-1H-indole (36104-60-6) + 3,5-bis(1,3-dithiolan-2-yl)indole (80193-34-6)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1246/bcsj.54.2120

upstream raw materials:

indole

2,2'-<1,2-ethanediylbis(thio)>bis-1,3-dithiolane

2-ethoxy-[1,3]dithiolane

Indole-3-carboxaldehyde

Downstream raw materials:

Indole-3-carboxaldehyde

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