4-Ethynyl-3-methoxybenzonitrile

Base Information

Chemical Name:4-Ethynyl-3-methoxybenzonitrile
CAS No.:914105-99-0
Molecular Formula:C10H7NO
Molecular Weight:157.172
Hs Code.:
European Community (EC) Number:804-853-7
DSSTox Substance ID:DTXSID40586555
Wikidata:Q82478700
Mol file:914105-99-0.mol

Synonyms:4-ethynyl-3-methoxybenzonitrile;914105-99-0;4-ethynyl-3-methoxy-benzonitrile;SCHEMBL1797171;DTXSID40586555;MFCD13192030;AKOS027390877;AS-35461;DB-079009;CS-0170796;A922627

Suppliers and Price of 4-Ethynyl-3-methoxybenzonitrile

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

TRC
4-Ethynyl-3-methoxybenzonitrile
50mg
$ 220.00

TRC
4-Ethynyl-3-methoxybenzonitrile
10mg
$ 65.00

Crysdot
4-Ethynyl-3-methoxybenzonitrile 97%
1g
$ 507.00

Alichem
4-Ethynyl-3-methoxybenzonitrile
5g
$ 2014.88

Alichem
4-Ethynyl-3-methoxybenzonitrile
1g
$ 664.45

Alichem
4-Ethynyl-3-methoxybenzonitrile
250mg
$ 271.26

Total 7 raw suppliers

Chemical Property of 4-Ethynyl-3-methoxybenzonitrile

Chemical Property:

PSA：33.02000
LogP:1.54818
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:157.052763847
Heavy Atom Count:12
Complexity:241

Purity/Quality:

97% ^*data from raw suppliers

4-Ethynyl-3-methoxybenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=CC(=C1)C#N)C#C

Technology Process of 4-Ethynyl-3-methoxybenzonitrile

There total 4 articles about 4-Ethynyl-3-methoxybenzonitrile 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: 67.0%

: 914106-32-4
4-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxybenzonitrile

: 914105-99-0
4-ethynyl-3-methoxybenzonitrile

Guidance literature:: With sodium hydride; In toluene; Heating;
DOI:10.1021/jm0612867

Reference yield: 67.0%

: 914105-99-0
4-ethynyl-3-methoxybenzonitrile

Guidance literature:

Reference yield:

: 652997-57-4
3-methoxy-4-O-trifluoromethylsulfonylbenzonitrile

: 914105-99-0
4-ethynyl-3-methoxybenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / Et₃N / CuI; PdCl₂(PPh₃)2 / 60 °C

2: 67 percent / sodium hydride / toluene / Heating

With sodium hydride; triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In toluene;
DOI:10.1021/jm0612867