2-Ethynyl-3-hexylthiophene

Base Information

Chemical Name:2-Ethynyl-3-hexylthiophene
CAS No.:291273-96-6
Molecular Formula:C12H16S
Molecular Weight:192.325
Hs Code.:
DSSTox Substance ID:DTXSID30514241
Nikkaji Number:J1.511.535A
Wikidata:Q82374443
Mol file:291273-96-6.mol

Synonyms:2-Ethynyl-3-hexylthiophene;291273-96-6;SCHEMBL18674838;DTXSID30514241;MFCD20922792

Suppliers and Price of 2-Ethynyl-3-hexylthiophene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of 2-Ethynyl-3-hexylthiophene

Chemical Property:

PSA：28.24000
LogP:3.85220
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:192.09727168
Heavy Atom Count:13
Complexity:177

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC1=C(SC=C1)C#C

Technology Process of 2-Ethynyl-3-hexylthiophene

There total 1 articles about 2-Ethynyl-3-hexylthiophene 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:

: 69249-61-2,125321-66-6
3-hexyl-2-bromothiophene

: 291273-96-6
3-n-hexyl-2-ethynylthiophene

Guidance literature:: Multi-step reaction with 2 steps

1: copper(I) iodide; diisopropylamine / dichlorobis(triphenylphosphine)palladium / 20 °C

2: sodium carbonate / methanol; hexane / 20 °C

With copper(l) iodide; sodium carbonate; diisopropylamine; bis-triphenylphosphine-palladium(II) chloride; In methanol; hexane; 1: Sonogashira coupling;
DOI:10.1246/bcsj.80.371

Reference yield: 74.0%

: 855624-43-0
1-(4-bromophenyl)-4-nitro-3-phenylbutan-1-one

: 291273-96-6
3-n-hexyl-2-ethynylthiophene

: 1-{4-[(3-hexylthiophen-2-yl)ethynyl]phenyl}-4-nitro-3-phenylbutan-1-one

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; Inert atmosphere; Glovebox;
DOI:10.1002/ejic.201500348

Reference yield: 53.0%

: 291273-96-6
3-n-hexyl-2-ethynylthiophene

: 219607-51-9
3-(4-bromophenyl)-4-nitro-1-phenylbutan-1-one

: 3-{4-[(3-hexylthiophen-2-yl)ethynyl]phenyl}-4-nitro-1-phenylbutan-1-one

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 70 ℃; for 24h; Inert atmosphere; Glovebox;
DOI:10.1002/ejic.201500348