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ChemicalBook--->CAS DataBase List--->126747-14-6

126747-14-6

126747-14-6 Structure

126747-14-6 Structure
IdentificationMore
[Name]

4-Cyanophenylboronic acid
[CAS]

126747-14-6
[Synonyms]

4-CYANOBENZENEBORONIC ACID
4-CYANOPHENYLBORONIC ACID
AKOS BRN-0076
CHEMBRDG-BB 3200965
P-CYANOPHENYLBORONIC ACID
RARECHEM AH PB 0209
4-Boronobenzonitrile~4-Cyanophenylboronic acid
Boronic acid, (4-cyanophenyl)-(9CI)
4-Boronobenzonitrile
PARACYANOPHENYLBORONIC ACID
4-Cyanophenylboronic Acid (contains varying amounts of Anhydride)
4-Cyanophenylboronic acid ,98%
[Molecular Formula]

C7H6BNO2
[MDL Number]

MFCD01318968
[Molecular Weight]

146.94
[MOL File]

126747-14-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to yellow powder
[Melting point ]

>350 °C (lit.)
[Boiling point ]

355.9±44.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

0-60°C
[solubility ]

DMSO, Methanol (Slightly)
[form ]

Powder
[pka]

7.38±0.10(Predicted)
[color ]

White to yellow
[Usage]

Intermediates of Liquid Crystals
[Detection Methods]

HPLC
[BRN ]

6593772
[CAS DataBase Reference]

126747-14-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN3439
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29319099
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->n-Butyllithium-->Nitrogen-->Trimethyl borate-->4-Bromobenzonitrile-->Benzenediazonium, 4-cyano-, tetrafluoroborate(1-)-->4-Cyanophenyl trifluoromethanesulfonate-->POTASSIUM (4-CYANOPHENYL)TRIFLUOROBORATE-->4-(1,3,2-Dioxaborinan-2-yl)benzonitrile-->4-Formylphenylboronic acid
[Preparation Products]

4-CYANOBENZOPHENONE-->4-(Difluoromethyl)benzonitrile-->4-(METHYLSULFONYL)BENZONITRILE-->Bromoxynil-->4'-Hydroxy-4-biphenylcarbonitrile
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Cyanophenylboronic acid(126747-14-6).msds
Questions And AnswerBack Directory
[Description]

4-Cyanophenylboronic acid can be used for palladium catalyzed Suzuki cross-coupling reactions to synthesize 6-acryl-2,4-diamino-pyrimidines and triazines. It is used as precursor in the synthesis of inhibitors such as Tpl2 kinase inhibitors and P2X7 antagonists used in the treatment of pain. It is also a reagent used for preparation of himbacine analogs as thrombin receptor antagonists and potential antiplatelet agents, trisulfonated calixarene upper-rim sulfonamido and their complexation with trimethyllysine epigenetic mark, antimalarial compounds via Suzuki cross-coupling, and deoxyuridine derivatives.
[Reference]

  • G. Cooke, H. A. de Cremiers, V. M. Rotello, B. Tarbit, P. E. Vandersträten, Synthesis of 6-aryl-2,4-diamino-pyrimidines and triazines using palladium catalysed Suzuki cross-coupling reactions, Tetrahedron, 2001, vol. 57, pp. 2787-2789
  • N. Ni, H. Chou, J. Wang, M. Li, C. Lu, P. C. Tai, B. Wang, Identification of boronic acids as antagonists of bacterial quorum sensing in Vibrio harveyi, Biochemical and Biophysical Research Communications, 2008, vol. 369, pp. 590-594
Hazard InformationBack Directory
[Chemical Properties]

white to yellow powder
[Uses]

4-Cyanophenylboronic Acid is a reactant used in the synthesis of (AMG-8718), an inhibitor of β-site amyloid precursor protein cleaving enzyme (BACE1).
[Uses]

Intermediates of Liquid Crystals
[Uses]

suzuki reaction
Spectrum DetailBack Directory
[Spectrum Detail]

4-Cyanophenylboronic acid(126747-14-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Cyanophenylboronic acid, 97%(126747-14-6)
[Alfa Aesar]

4-Cyanobenzeneboronic acid, 98%(126747-14-6)
[Sigma Aldrich]

126747-14-6(sigmaaldrich)
[TCI AMERICA]

4-Cyanophenylboronic Acid  (contains varying amounts of Anhydride)(126747-14-6)
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