4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

Base Information

Chemical Name:4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
CAS No.:883898-93-9
Molecular Formula:C₁₂H₁₃BClNO₂
Molecular Weight:249.505
Hs Code.:
DSSTox Substance ID:DTXSID40467870
Nikkaji Number:J2.307.646B
Wikidata:Q82294949
Mol file:883898-93-9.mol

Synonyms:883898-93-9;4-chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile;5-CHLORO-2-CYANOPHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER;SCHEMBL9941695;DTXSID40467870;JUJHSJFBHCQGCU-UHFFFAOYSA-N;BENZONITRILE, 4-CHLORO-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)-;AB45903;CS-0435281

Suppliers and Price of 4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)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

American Custom Chemicals Corporation
5-CHLORO-2-CYANOPHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER 95.00%
5MG
$ 505.27

Total 10 raw suppliers

Chemical Property of 4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

Chemical Property:

PSA：42.25000
LogP:1.97988
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:249.0727865
Heavy Atom Count:17
Complexity:318

Purity/Quality:

98%min ^*data from raw suppliers

5-CHLORO-2-CYANOPHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER 95.00% ^*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)Cl)C#N

Technology Process of 4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

There total 2 articles about 4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)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:

: 623-03-0
4-Cyanochlorobenzene

: 5419-55-6
Triisopropyl borate

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

: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-chlorobenzonitrile

: 883898-93-9
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-chlorobenzonitrile

Guidance literature:: 4-Cyanochlorobenzene; Triisopropyl borate; 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

Reference yield:

: 623-03-0
4-Cyanochlorobenzene

: 5419-55-6
Triisopropyl borate

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

: 4111-54-0
lithium diisopropyl amide

: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-chlorobenzonitrile

: 883898-93-9
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-chlorobenzonitrile

: 79606-45-4
N,N-diisopropyl 4-chlorobenzamide

Guidance literature:: 4-Cyanochlorobenzene; Triisopropyl borate; lithium diisopropyl amide;

2,2-Dimethyl-1,3-propanediol; Title compound not separated from byproducts;
DOI:10.1021/jo052400g