5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)isophthalonitrile

Base Information

Chemical Name:5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)isophthalonitrile
CAS No.:863868-34-2
Molecular Formula:C14H15BN2O2
Molecular Weight:254.096
Hs Code.:2934999090
DSSTox Substance ID:DTXSID90699447
Wikidata:Q82630373
Mol file:863868-34-2.mol

Synonyms:5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOPHTHALONITRILE;863868-34-2;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarbonitrile;MFCD08061937;3,5-Dicyanophenylboronic Acid Pinacol Ester;SCHEMBL7960738;C14H15BN2O2;DTXSID90699447;AKOS016844604;BS-49816;SY240787;CS-0054350;F20221;A841631;J-516203

Suppliers and Price of 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)isophthalonitrile

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

Crysdot
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile 95+%
1g
$ 772.00

American Custom Chemicals Corporation
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOPHTHALONITRILE 95.00%
5MG
$ 496.89

Alichem
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile
1g
$ 615.44

Total 13 raw suppliers

Chemical Property of 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)isophthalonitrile

Chemical Property:

PSA：66.04000
LogP:1.72916
Storage Temp.:2-8°C
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:254.1226579
Heavy Atom Count:19
Complexity:417

Purity/Quality:

97% ^*data from raw suppliers

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C#N)C#N

Technology Process of 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)isophthalonitrile

There total 5 articles about 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)isophthalonitrile 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: 77.0%

: 160892-07-9
5-bromo-1,3-benzenedicarbonitrile

: 73183-34-3
bis(pinacol)diborane

: 863868-34-2
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dicyanobenzene

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; for 3h; Reflux;
DOI:10.1039/c9tc01354g

Reference yield:

: 626-17-5
benzene-1,3-dicarbonitrile

: 73183-34-3
bis(pinacol)diborane

: 863868-34-2
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dicyanobenzene

Guidance literature:: With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 2,6-di-tert-butyl-pyridine; at 130 ℃; Microwave irradiation;
DOI:10.1016/j.bmcl.2010.11.065

Reference yield:

: 626-17-5
benzene-1,3-dicarbonitrile

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: 863868-34-2
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dicyanobenzene

: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile

Guidance literature:: With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine; In tetrahydrofuran; at 25 ℃; for 12h; Title compound not separated from byproducts;
DOI:10.1021/ja0428309