Thiophene, 2-(2-propynyl)-

Base Information

• Chemical Name: Thiophene, 2-(2-propynyl)-
• CAS No.: 93296-25-4
• Molecular Formula: C7H6S
• Molecular Weight: 122.191
• DSSTox Substance ID: DTXSID70534827
• Wikidata: Q82408830

Synonyms:93296-25-4;Thiophene, 2-(2-propynyl)-;2-(Prop-2-yn-1-yl)thiophene;3-(2-thienyl)-1-propyne;2-prop-2-ynylthiophene;2-propargylthiophene;SCHEMBL630091;DTXSID70534827;EN300-1849159

Chemical Property of Thiophene, 2-(2-propynyl)-

Chemical Property:

• Boiling Point: 76 °C(Press: 16 Torr)
• PSA: 28.24000
• Density: 1.090±0.06 g/cm3(Predicted)
• LogP: 1.92380
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.01902136
• Heavy Atom Count: 8
• Complexity: 109

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCC1=CC=CS1

Technology Process of Thiophene, 2-(2-propynyl)-

There total 1 articles about Thiophene, 2-(2-propynyl)- 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:

2-thenyl bromide (45438-73-1) → 3-(thien-2-yl)prop-1-yne (93296-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / CuBr / tetrahydrofuran / 2 h / Heating

2: 86 percent / KF*2H₂O / dimethylformamide / 5 h / Ambient temperature

With potassium fluoride; copper(I) bromide; In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield: 40.0%

3-(thien-2-yl)prop-1-yne (93296-25-4) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → ethyl 5-methyl-2-phenyl-4-(thiophen-2-yl)furan-3-carboxylate

Guidance literature:

3-(thien-2-yl)prop-1-yne; ethyl 3-oxo-3-phenylpropionate; With 1,10-Phenanthroline; silver carbonate; copper(ll) bromide; In dichloromethane; at 80 ℃; for 24h; Inert atmosphere; Schlenk technique;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 80 ℃; Inert atmosphere;

DOI:10.1039/c8cc08013e

Reference yield:

3-(thien-2-yl)prop-1-yne (93296-25-4) + C12H14INO2 (1156972-61-0) → C19H19NO2S

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60 ℃; for 1h;

DOI:10.1016/j.bmcl.2012.04.112

upstream raw materials:

2-thenyl bromide

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