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POTASSIUM (4-CYANOPHENYL)TRIFLUOROBORATE

POTASSIUM (4-CYANOPHENYL)TRIFLUOROBORATE structure

POTASSIUM (4-CYANOPHENYL)TRIFLUOROBORATE 

structure
  • CAS No:

    850623-36-8

  • Formula:

    C7H4BF3KN

  • Chemical Name:

    POTASSIUM (4-CYANOPHENYL)TRIFLUOROBORATE

  • Synonyms:

    POTASSIUM (4-CYANOPHENYL)TRIFLUOROBORATE;POTASSIUM (4-CYANOPHENY)TRIFLUOROBORATE;Borate(1-),(4-cyanophenyl)trifluoro-,potassiuM;potassiuM (4-cyanophenyl)(trifluoro)borate(1-);Potassium (4-cyanophenyl)trifluoroborate 97%;Borate(1-),(4-cyanophenyl)trifluoro-, potassium (1:1), (T-4)-

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

POTASSIUM (4-CYANOPHENYL)TRIFLUOROBORATE Basic Attributes

209.02

209.002594

DTXSID50635801

Characteristics

23.8

300°C

Safety Information

3439

3

20/21/22-36/37/38

26-36/37/39-36

Xi

Irritant

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (13.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

POTASSIUM (4-CYANOPHENYL)TRIFLUOROBORATE Use and Manufacturing

General procedure: To a two-necked 25 mL round-bottomed flask under a nitrogenatmosphere containing Pd(OAc)2 (2.2 mg, 10 mol%), potassium trifluoroborate salt (0.12 mmol), dipeptide III(58.4 mg, 0.1 mmol), and dry MeOH (3 mL) was addedCs2CO3 (32.5 mg, 0.1 mmol). The reaction mixture wasstirred and heated at 60C. The reaction was monitored byTLC (10 hours). Then the reaction mixture was diluted withethyl acetate and washed with saturated solution of NH4Cl (3X 20 mL), the organic phase was collected, dried withMgSO4, filtered and the solvent was removed under vacuum.Purification was achieved by silica flash chromatography(eluting with ethyl acetate / hexane 5:5).General procedure: Arylboronic acid (1 molar amount), potassium hydrogendifluoride (3 times molar amount), stirred at 500 rpm for 10 minutes at high speed to obtain a mixed homogeneous powdery material.The feed port of the twin-screw extruder was continuously added, and the extrusion time was set to 8 minutes.The extruded material is directly received in a receiver containing the same weight of water as the solid material, stirred and dispersed to obtain a slurry, filtered, and the filtrate is returned to receive., The filter cake was washed with water and dried by hot air to obtain an aryltrifluoroborate product (Table 1).

Computed Properties

Molecular Weight:209.02
Hydrogen Bond Acceptor Count:5
Exact Mass:209.0025953
Monoisotopic Mass:209.0025953
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:202
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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