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

Base Information Edit
  • Chemical Name:4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • CAS No.:171364-82-2
  • Molecular Formula:C13H16BNO2
  • Molecular Weight:229.087
  • Hs Code.:29319090
  • European Community (EC) Number:626-346-8
  • DSSTox Substance ID:DTXSID30370405
  • Nikkaji Number:J845.351I
  • Wikidata:Q72457884
  • Mol file:171364-82-2.mol
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Synonyms:171364-82-2;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;4-Cyanophenylboronic acid pinacol ester;4-cyanophenylboronic acid, pinacol ester;MFCD03093897;4-cyanobenzeneboronic acid, pinacol ester;Benzonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile;2-(4-CYANOPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE;(4-CYANOPHENYL)BORONIC ACID PINACOL ESTER;SCHEMBL476909;4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;DTXSID30370405;AKOS015950729;AB13287;AM62749;AS-2265;SY024024;CS-0030567;FT-0643642;T3350;4-Cyanophenylboronic acid pinacol ester, 97%;EN300-1706218;A811324;J-010716;J-513428;4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile

Suppliers and Price of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Supply Marketing:Edit
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
  • Usbiological
  • 4-Cyanophenylboronic acid pinacol ester
  • 2g
  • $ 349.00
  • TRC
  • 4-Cyanophenylboronic acid pinacol ester
  • 10 g
  • $ 180.00
  • TRC
  • 4-Cyanophenylboronic acid pinacol ester
  • 2.5g
  • $ 70.00
  • TCI Chemical
  • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile >98.0%(GC)(T)
  • 1g
  • $ 69.00
  • TCI Chemical
  • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile >98.0%(GC)(T)
  • 5g
  • $ 204.00
  • SynQuest Laboratories
  • 4-Cyanobenzeneboronic acid, pinacol ester 98%
  • 25 g
  • $ 306.00
  • SynQuest Laboratories
  • 4-Cyanobenzeneboronic acid, pinacol ester 98%
  • 10 g
  • $ 149.00
  • SynQuest Laboratories
  • 4-Cyanobenzeneboronic acid, pinacol ester 98%
  • 5 g
  • $ 111.00
  • Sigma-Aldrich
  • 4-Cyanophenylboronic acid pinacol ester 97%
  • 1g
  • $ 52.60
  • Sigma-Aldrich
  • 4-Cyanophenylboronic acid pinacol ester 97%
  • 5g
  • $ 172.00
Total 67 raw suppliers
Chemical Property of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Edit
Chemical Property:
  • Appearance/Colour:light yellow to orange or light tan crystalline powder 
  • Vapor Pressure:6.02E-05mmHg at 25°C 
  • Melting Point:95-99 °C(lit.) 
  • Refractive Index:1.507 
  • Boiling Point:345.782 °C at 760 mmHg 
  • Flash Point:162.923 °C 
  • PSA:42.25000 
  • Density:1.066 g/cm3 
  • LogP:1.85748 
  • Storage Temp.:Refrigerator (+4°C) 
  • Solubility.:Chloroform (Slightly), Methanol (Slightly) 
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:1
  • Exact Mass:229.1274089
  • Heavy Atom Count:17
  • Complexity:321
Purity/Quality:

98% *data from raw suppliers

4-Cyanophenylboronic acid pinacol ester *data from reagent suppliers

Safty Information:
  • Pictogram(s): IrritantXi 
  • Hazard Codes:Xi 
  • Statements: 36/37/38-20/21/22 
  • Safety Statements: 26-36-36/37/39 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#N
  • Uses 4-(Cyanophenyl)boronic Acid Pinacol Ester is used to prepare arylparacyclophanes via Suzuki aryl cross-coupling of bromoparacyclophane with arylboronic acid and arylboronates. It’s also used to prepare tyrosine-modified analogs of α4β7 integrin inhibitor biotin-R8ERY.
Technology Process of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

There total 62 articles about 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-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:
Guidance literature:
With magnesium sulfate; In diethyl ether; at 25 ℃; for 18h; Inert atmosphere; Glovebox; Sealed tube;
DOI:10.1021/jacs.1c08551
Guidance literature:
With C37H51ClFeNPPd; potassium acetate; In 1,4-dioxane; at 80 ℃; for 3h; Inert atmosphere;
DOI:10.1002/adsc.201000085
Guidance literature:
With potassium acetate; palladium diacetate; (1R,3S,5S,7R)-8-([1,1'-biphenyl]-2-yl)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phospha-adamantane; In tetrahydrofuran; at 25 ℃; for 12h; Reagent/catalyst; Time; Catalytic behavior; Inert atmosphere; Sealed tube;
DOI:10.1016/j.tetlet.2021.153572
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