Benzene, 1-ethynyl-2,5-dihexyl-4-iodo-

Base Information

Chemical Name:Benzene, 1-ethynyl-2,5-dihexyl-4-iodo-
CAS No.:167319-26-8
Molecular Formula:C20H29I
Molecular Weight:396.34900
Hs Code.:
DSSTox Substance ID:DTXSID80447479
Nikkaji Number:J666.536E
Wikidata:Q82266358
Mol file:167319-26-8.mol

Synonyms:Benzene, 1-ethynyl-2,5-dihexyl-4-iodo-;1-ethynyl-2,5-dihexyl-4-iodo-benzene;167319-26-8;1-ETHYNYL-2,5-DIHEXYL-4-IODOBENZENE;DTXSID80447479;1,4-Dihexyl-2-iodo-5-ethynylbenzene;J-504615

Suppliers and Price of Benzene, 1-ethynyl-2,5-dihexyl-4-iodo-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of Benzene, 1-ethynyl-2,5-dihexyl-4-iodo-

Chemical Property:

PSA：0.00000
LogP:6.51810
XLogP3:8.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:11
Exact Mass:396.13140
Heavy Atom Count:21
Complexity:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC1=CC(=C(C=C1I)CCCCCC)C#C

Technology Process of Benzene, 1-ethynyl-2,5-dihexyl-4-iodo-

There total 6 articles about Benzene, 1-ethynyl-2,5-dihexyl-4-iodo- 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: 85.0%

: 194015-15-1
[2-(2,5-dihexyl-4-iodophenyl)ethynyl](trimethyl)silane

: 167319-26-8
1-ethynyl-2,5-dihexyl-4-iodobenzene

Guidance literature:: With methanol; potassium hydroxide; water; In tetrahydrofuran; at 25 ℃; for 24h;
DOI:10.1007/s11172-005-0029-6

Reference yield:

: 624-38-4,1032416-46-8
para-diiodobenzene

: 167319-26-8
1-ethynyl-2,5-dihexyl-4-iodobenzene

Guidance literature:: Multi-step reaction with 5 steps

1: 93 percent / CuI; Pd(PPh₃)4; Et₃N / toluene / 0 - 25 °C

2: 91 percent / H₂; Pd/C / ethanol / 25 °C

3: 55 percent / I₂; HIO₃; H₂SO₄

4: 55 percent / CuI; Pd(PPh₃)4; Et₃N / toluene / 0 - 25 °C

5: 85 percent / KOH; MeOH; H₂O / tetrahydrofuran / 24 h / 25 °C

With methanol; potassium hydroxide; palladium on activated charcoal; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sulfuric acid; water; hydrogen; iodine; iodic acid; triethylamine; In tetrahydrofuran; ethanol; toluene;
DOI:10.1007/s11172-005-0029-6

Reference yield:

: 22588-73-4
1,4-dihexylbenzene

: 167319-26-8
1-ethynyl-2,5-dihexyl-4-iodobenzene

Guidance literature:: Multi-step reaction with 3 steps

1: 55 percent / I₂; HIO₃; H₂SO₄

2: 55 percent / CuI; Pd(PPh₃)4; Et₃N / toluene / 0 - 25 °C

3: 85 percent / KOH; MeOH; H₂O / tetrahydrofuran / 24 h / 25 °C

With methanol; potassium hydroxide; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sulfuric acid; water; iodine; iodic acid; triethylamine; In tetrahydrofuran; toluene;
DOI:10.1007/s11172-005-0029-6