1-Ethynylisoquinoline

Base Information

Chemical Name:1-Ethynylisoquinoline
CAS No.:86520-96-9
Molecular Formula:C11H7N
Molecular Weight:153.06
Hs Code.:
European Community (EC) Number:892-808-2
DSSTox Substance ID:DTXSID00517608
Wikidata:Q72477796
Mol file:86520-96-9.mol

Synonyms:1-ethynylisoquinoline;86520-96-9;Isoquinoline, 1-ethynyl-;SCHEMBL2418686;DTXSID00517608;MFCD16659652;AKOS015998823;DS-1849;FS-3458;1-Ethynylisoquinoline;A863147

Suppliers and Price of 1-Ethynylisoquinoline

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
Packaging
price

Synthonix
1-Ethynylisoquinoline 90+%
1g
$ 310.00

Synthonix
1-Ethynylisoquinoline 90+%
250mg
$ 120.00

Synthonix
1-Ethynylisoquinoline 90+%
100mg
$ 80.00

Synthonix
1-Ethynylisoquinoline 90+%
5g
$ 1060.00

Matrix Scientific
1-Ethynylisoquinoline >95%
1g
$ 864.00

Crysdot
1-Ethynylisoquinoline 95+%
5g
$ 832.00

Crysdot
1-Ethynylisoquinoline 95+%
1g
$ 242.00

Chemenu
1-ethynylisoquinoline 95%
1g
$ 228.00

Chemenu
1-ethynylisoquinoline 95%
5g
$ 785.00

American Custom Chemicals Corporation
1-ETHYNYLISOQUINOLINE 95.00%
5MG
$ 500.36

Total 27 raw suppliers

Chemical Property of 1-Ethynylisoquinoline

Chemical Property:

Melting Point:56-57 °C
Boiling Point:298.066 °C at 760 mmHg
PKA:2.76±0.30(Predicted)
Flash Point:129.095 °C
PSA：12.89000
Density:1.136 g/cm³
LogP:2.21610
Storage Temp.:2-8°C
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:153.057849228
Heavy Atom Count:12
Complexity:200

Purity/Quality:

99% ^*data from raw suppliers

1-Ethynylisoquinoline 90+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CC1=NC=CC2=CC=CC=C21

Technology Process of 1-Ethynylisoquinoline

There total 4 articles about 1-Ethynylisoquinoline 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: 73.0%

: 1532-71-4
1-bromoisoquinoline

: 1066-54-2
trimethylsilylacetylene

: 86520-96-9
1-ethynylisoquinoline

Guidance literature:: 1-bromoisoquinoline; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In 1,4-dioxane; triethylamine; for 0.0166667h;

trimethylsilylacetylene; In 1,4-dioxane; triethylamine; at 100 ℃; for 18h; Inert atmosphere; Sealed tube;

With potassium carbonate; In methanol; at 20 ℃; for 0.5h;
DOI:10.1002/anie.201800144

Reference yield: 71.0%

: 86521-10-0
1-(trimethylsilylethynyl)isoquinoline

: 86520-96-9
1-ethynylisoquinoline

Guidance literature:: With potassium hydroxide; In methanol; for 3h; Ambient temperature;
DOI:10.1055/s-1983-30319

Reference yield:

: 19658-77-6
1-iodoisoquiniline

: 86520-96-9
1-ethynylisoquinoline

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / bispalladium dichloride, copper(I) iodide, triethylamine / 12 h / 40 °C

2: 71 percent / aq. KOH / methanol / 3 h / Ambient temperature

With bis-triphenylphosphine-palladium(II) chloride; potassium hydroxide; copper(l) iodide; triethylamine; In methanol;
DOI:10.1055/s-1983-30319