2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

Base Information

Chemical Name:2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile
CAS No.:138500-86-4
Molecular Formula:C14H18BNO2
Molecular Weight:243.113
Hs Code.:2934999090
European Community (EC) Number:677-797-2
DSSTox Substance ID:DTXSID20397186
Nikkaji Number:J1.255.217C
Wikidata:Q72458492
Mol file:138500-86-4.mol

Synonyms:138500-86-4;2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile;4-(Cyanomethyl)benzeneboronic acid pinacol ester;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile;4-Cyanomethylphenylboronic acid, pinacol ester;(4-Cyanomethyl)phenylboronic acid pinacol ester;2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile;MFCD02179459;(4-(CYANOMETHYL)PHENYL)BORONIC ACID PINACOL ESTER;[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile;4-(CYANOMETHYL)PHENYLBORONIC ACID PINACOL ESTER;(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile;4-Cyanomethylphenylboronic acid pinacol ester;SCHEMBL1163929;DTXSID20397186;AKOS015913843;PB10214;AS-39948;SY256206;4-Cyanomethylphenylboronic acid,pinacol ester;CS-0052091;FT-0643286;EN300-221847;(4-Cyanomethylphenyl)boronic acid, pinacol ester;J-007146;Z2044782780;4-(Cyanomethyl)phenylboronic acid pinacol ester, AldrichCPR;4-(CYANOMETHYL)PHENYLBORONIC ACID PINACOL CYCLIC ESTER;2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) phenyl)acetonitrile;2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl) acetonitrile;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)benzeneacetonitrile;[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENYL]-ACETONITRILE;BENZENEACETONITRILE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-

Suppliers and Price of 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

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-(Cyanomethyl)phenylboronic acid pinacol ester
500mg
$ 65.00

TRC
4-(Cyanomethyl)phenylboronic acid pinacol ester
250mg
$ 55.00

TRC
4-(Cyanomethyl)phenylboronic acid pinacol ester
100mg
$ 45.00

Synthonix
4-(Cyanomethyl)phenylboronic acid pinacol ester 97.0%
10g
$ 240.00

Synthonix
4-(Cyanomethyl)phenylboronic acid pinacol ester 97.0%
1g
$ 40.00

Sigma-Aldrich
4-(Cyanomethyl)phenylboronic acid pinacol ester Aldrich
1g
$ 45.80

Crysdot
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile 95+%
100g
$ 713.00

ChemScene
4-(Cyanomethyl)benzeneboronicacidpinacolester >98.0%
100g
$ 812.00

ChemScene
4-(Cyanomethyl)benzeneboronicacidpinacolester >98.0%
5g
$ 60.00

ChemScene
4-(Cyanomethyl)benzeneboronicacidpinacolester >98.0%
10g
$ 114.00

Total 53 raw suppliers

Chemical Property of 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

Chemical Property:

Vapor Pressure:1.2E-05mmHg at 25°C
Melting Point:68-72 °C
Refractive Index:1.505
Boiling Point:369.3 °C at 760 mmHg
Flash Point:177.2 °C
PSA：42.25000
Density:1.05 g/cm³
LogP:2.05188
Storage Temp.:Inert atmosphere,Room Temperature
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:243.1430590
Heavy Atom Count:18
Complexity:334

Purity/Quality:

99%, ^*data from raw suppliers

4-(Cyanomethyl)phenylboronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/22:Harmful by inhalation and if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Hazard Codes:R20/22:Harmful by inhalation and if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC#N
Uses 4-Cyanomethylphenylboronic acid, pinacol ester

Technology Process of 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

There total 9 articles about 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile 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: 96.2%

: 51628-12-7
4-iodophenylacetonitrile

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

: 138500-86-4
2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

Guidance literature:: With triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In acetonitrile; for 3h; Heating / reflux;

Reference yield: 83.0%

: 73183-34-3
bis(pinacol)diborane

: 140-53-4
p-chlorobenzyl cyanide

: 138500-86-4
2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

Guidance literature:: bis(pinacol)diborane; p-chlorobenzyl cyanide; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium acetate; XPhos; at 110 ℃; for 6h; Schlenk technique; Inert atmosphere;

Inert atmosphere;
DOI:10.1055/s-0037-1610787

Reference yield: 73.0%

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

: 4-(cyanomethyl)phenyl trifluoromethanesulfonate

: 138500-86-4
2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

Guidance literature:: With triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 100 ℃; for 6h;
DOI:10.1021/jo991337q