5-(thiophen-3-yl)-1H-indole

Base Information

• Chemical Name: 5-(thiophen-3-yl)-1H-indole
• CAS No.: 152920-53-1
• Molecular Formula: C12H9 N S
• Molecular Weight: 199.276
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30566326
• Nikkaji Number: J2.448.782B
• Wikidata: Q82451901
• Mol file: 152920-53-1.mol

Synonyms:5-(thiophen-3-yl)-1H-indole;152920-53-1;5-thiophen-3-yl-1H-indole;5-(3-Thienyl)-1H-indole;5-(3-Thienyl)indole;5-(3-Thienyl) indole;SCHEMBL2461441;DTXSID30566326;IIHUKJUKXSIOCN-UHFFFAOYSA-N;AKOS004118940;AB18858;A809361

Chemical Property of 5-(thiophen-3-yl)-1H-indole

Chemical Property:

• PSA: 44.03000
• LogP: 3.89640
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199.04557046
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

5-(Thiophen-3-yl)-1H-indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN2)C=C1C3=CSC=C3

Technology Process of 5-(thiophen-3-yl)-1H-indole

There total 4 articles about 5-(thiophen-3-yl)-1H-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: 90.0%

Thien-3-ylboronic acid (6165-69-1) + 5-chloro-1H-indole (17422-32-1) → 5-(thiophen-3-yl)-1H-indole (152920-53-1)

Guidance literature:

With potassium phosphate; dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In butan-1-ol; at 100 ℃; for 15h;

DOI:10.1021/ja068577p

Reference yield: 90.0%

3-chlorothiophene (17249-80-8) + 1H-indole-5-boronic acid (144104-59-6) → 5-(thiophen-3-yl)-1H-indole (152920-53-1)

Guidance literature:

With potassium phosphate; dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In butan-1-ol; at 120 ℃; for 18h;

DOI:10.1021/ja068577p

Reference yield: 89.0%

5-bromo-1H-indole (10075-50-0) + Thien-3-ylboronic acid (6165-69-1) → 5-(thiophen-3-yl)-1H-indole (152920-53-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; for 12h; Reflux; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.11.090

upstream raw materials:

3-Bromothiophene

1H-indole-5-boronic acid

3-chlorothiophene

Thien-3-ylboronic acid