2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile

Base Information

Chemical Name:2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile
CAS No.:883899-03-4
Molecular Formula:C₁₃H₁₃BF₃NO₂
Molecular Weight:283.058
Hs Code.:
DSSTox Substance ID:DTXSID10469629
Nikkaji Number:J2.307.656J
Wikidata:Q82297435
Mol file:883899-03-4.mol

Synonyms:883899-03-4;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile;2-Cyano-3-(trifluoromethyl)phenylboronic acid neopentyl glycol ester;2-CYANO-3-(TRIFLUOROMETHYL)PHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER;SCHEMBL2722288;DTXSID10469629;AB48268;CS-0435223

Suppliers and Price of 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile

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
2-Cyano-3-(trifluoromethyl)phenylboronicAcidNeopentylGlycolEster
100mg
$ 75.00

American Custom Chemicals Corporation
2-CYANO-3-(TRIFLUOROMETHYL)PHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER 95.00%
5MG
$ 496.43

Total 9 raw suppliers

Chemical Property of 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile

Chemical Property:

PSA：42.25000
LogP:2.34528
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:283.0991433
Heavy Atom Count:20
Complexity:394

Purity/Quality:

98%min ^*data from raw suppliers

2-Cyano-3-(trifluoromethyl)phenylboronicAcidNeopentylGlycolEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OCC(CO1)(C)C)C2=C(C(=CC=C2)C(F)(F)F)C#N

Technology Process of 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile

There total 1 articles about 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile 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: 99.0%

: 5419-55-6
Triisopropyl borate

: 447-60-9
2-(trifluoromethyl)benzonitrile

: 126-30-7
2,2-Dimethyl-1,3-propanediol

: 883899-03-4
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-(trifluoromethyl)benzonitrile

Guidance literature:: Triisopropyl borate; 2-(trifluoromethyl)benzonitrile; With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; hexane; at -78 - 20 ℃;

2,2-Dimethyl-1,3-propanediol; In tetrahydrofuran; hexane; at 20 ℃; for 1h;
DOI:10.1021/jo052400g