578401

3-Cyanophenylboronic acid pinacol ester

97%

Manufacturer: Sigma Aldrich

CAS Number: 214360-46-0

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

Select a Size

Pack Size SKU Availability Price
1 G 578401-1-G In Stock ₹ 5,390.85

578401 - 1 G

₹ 5,390.85

In Stock

Quantity

1

Base Price: ₹ 5,390.85

GST (18%): ₹ 970.353

Total Price: ₹ 6,361.203

Quality Level

100

Assay

97%

mp

78-82 °C (lit.)

SMILES string

CC1(C)OB(OC1(C)C)c2cccc(c2)C#N

InChI

1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3

InChI key

FIGQEPXOSAFKTA-UHFFFAOYSA-N

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Description

  • Application: 3-Cyanophenylboronic acid pinacol ester can be used as a reactant to synthesize: 3-Cyano aryl/ heteroaryl derivatives by forming a C−C bond via palladium-catalyzed Suzuki-Miyaura reaction.[1] 3-(Phenylamino)benzonitrile by copper-catalyzed Chan-Evans-Lam amination reaction.[2] 3-(Trifluoromethyl)benzonitrile using potassium (trifluoromethyl)trimethoxyborate.[3]

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Compare Similar Items

Show Difference

Img

Sigma Aldrich

578401

97%...


Quality Level:
100

Assay:
97%

mp:
78-82 °C (lit.)

SMILES string:
CC1(C)OB(OC1(C)C)c2cccc(c2)C#N

InChI:
1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3

InChI key:
FIGQEPXOSAFKTA-UHFFFAOYSA-N

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Sigma Aldrich

578568

97%...


Quality Level:
100

Assay:
97%

mp:
__

SMILES string:
Nc1ccc(cc1Cl)C(F)(F)F

InChI:
1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2

InChI key:
MBBUTABXEITVNY-UHFFFAOYSA-N

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Sigma Aldrich

57857

≥97.0% (NT)...


Quality Level:
200

Assay:
≥97.0% (NT)

mp:
239 °C (dec.) (lit.)~245 °C (dec.)

SMILES string:
[Li+].[O-]C(=O)CI

InChI:
1S/C2H3IO2.Li/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1

InChI key:
RZCFQIDTJPHHFJ-UHFFFAOYSA-M

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Sigma Aldrich

57857

≥97.0% (NT)...


Quality Level:
200

Assay:
≥97.0% (NT)

mp:
239 °C (dec.) (lit.)~245 °C (dec.)

SMILES string:
[Li+].[O-]C(=O)CI

InChI:
1S/C2H3IO2.Li/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1

InChI key:
RZCFQIDTJPHHFJ-UHFFFAOYSA-M