CAS No.172732-52-4,2-(1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE Suppliers

Products Categories

Pharmaceutical (110)
Organic Chemicals (23)
Others (11)
Materials (7)
Reagent (4)

Basic Information

Molecular Structure:
CAS No.:	172732-52-4
Name:	2-(1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
Article Data:	10

Formula:	C₁₀H₁₀BNO₂
Molecular Weight:	187.006
Synonyms:	2-(1,3,2-Dioxaborinan-2-yl)benzonitrile;2-(2-Cyanophenyl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)benzonitrile;Benzonitrile, 2-(1,3,2-dioxaborinan-2-yl)-;
Density:	1.13 g/cm³
Melting Point:	46-56 °C(lit.)
Boiling Point:	372.4 °C at 760 mmHg
Flash Point:	179 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	3439
PSA:	42.25000
LogP:	0.69038

Synthetic route

: 138642-62-3
2-Cyanophenylboronic acid

: 504-63-2
trimethyleneglycol

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

Conditions

Conditions	Yield
at 20℃; for 1h;	82.4%
In dichloromethane	57.2%
In dichloromethane for 20h;	57.2%

: 2042-37-7
o-cyanobromobenzene

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: toluene / 0.5 h / 0 - 5 °C / Inert atmosphere 1.2: 1.5 h / 0 - 5 °C 1.3: 0.75 h / 0 - 25 °C 2.1: hydrogenchloride / water / 0.5 h / 0 - 25 °C 3.1: toluene; tetrahydrofuran; Isopropyl acetate / 2 h / 20 - 25 °C View Scheme

: 100-47-0
benzonitrile

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: lithium chloride; n-butyllithium / tetrahydrofuran; hexane / -10 °C / Inert atmosphere 1.2: -50 °C / Inert atmosphere 1.3: Inert atmosphere 2.1: 1 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: 2,2,6,6-tetramethyl-piperidine; lithium chloride; n-butyllithium / tetrahydrofuran; hexane / 3 h / -50 - -10 °C / Inert atmosphere 1.2: Inert atmosphere 2.1: 1 h / 20 °C View Scheme

: 578-57-4
2-bromoanisole

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

: 2'-methoxy-[1,1'-biphenyl]-2-carbonitrile

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate In toluene for 1h; Heating;	99%

: 51-17-2
benzoimidazole

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

A: 611-20-1
salicylonitrile

B: 100-47-0
benzonitrile

C: 25699-93-8
2-(1H-benzo[d]imidazol-1-yl)benzonitrile

Conditions

Conditions	Yield
With pyridine; water; copper diacetate In N,N-dimethyl-formamide at 30℃; for 24h; Kinetics; Product distribution; Further Variations:; Reaction partners; amount of water;	A n/a B n/a C 93%

...Expand

: 576-22-7
2-Bromo-m-xylene

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

: 2',6'-dimethyl-[1,1'-biphenyl]-2-carbonitrile

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate In toluene for 1h; Heating;	92%

: tert-butyl N-(3-(3-iodo-2-oxo-5-(pyrimidin-2-yl)-1,2-dihydropyridin-1-yl)phenyl)carbamate

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

: tert-butyl N-(3-(3-(2-cyanophenyl)-2-oxo-5-(pyrimidin-2-yl)-1,2-dihydropyridin-1-yl)phenyl)carbamate

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In N,N-dimethyl-formamide at 110℃; for 2h; Inert atmosphere;	90%

: tert-butyl N-(3-(3-iodo-2-oxo-5-(pyrimidin-2-yl)-1,2-dihydropyridin-1-yl)phenyl)carbamate

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

2-(1,3,2-dioxaboran-2-yl)benzonitrile: 2-(1,3,2-dioxaboran-2-yl)benzonitrile

: tert-butyl N-(3-(3-(2-cyanophenyl)-2-oxo-5-(pyrimidin-2-yl)-1,2-dihydropyridin-1-yl)phenyl)carbamate

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In N,N-dimethyl-formamide at 110℃; for 2h; Inert atmosphere;	90%

...Expand

: 35660-94-7
(E)-2-methylbut-2-enoyl chloride

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

: 2-[(E)-2-methylbut-2-enoyl]benzonitrile

Conditions

Conditions	Yield
With potassium phosphate; bis-triphenylphosphine-palladium(II) chloride In toluene at 80℃; for 4h;	89%

: 3-iodo-1-(3-dimethylaminophenyl)-5-(pyrimidin-2-yl)pyridin-2(1H)-one

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

: 2-(1-(3-dimethylaminophenyl)-2-oxo-5-(pyrimidin-2-yl)-1,2-dihydropyridin-3-yl)benzonitrile

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In N,N-dimethyl-formamide at 115℃; for 0.333333h; Inert atmosphere;	89%
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate	89%

Total:117 Page 1 of 4 1 2 3 4 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 172732-52-4

Specification

The Benzonitrile,2-(1,3,2-dioxaborinan-2-yl)-, with the CAS registry number 172732-52-4, has the systematic name of 2-(1,3,2-dioxaborinan-2-yl)benzonitrile. It belongs to the product categories of Blocks and BoronicAcids. And the molecular formula of the chemical is C₁₀H₁₀BNO₂.

The characteristics of Benzonitrile,2-(1,3,2-dioxaborinan-2-yl)- are as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 42.25 Å²; (5)Index of Refraction: 1.519; (6)Molar Refractivity: 50.12 cm³; (7)Molar Volume: 165 cm³; (8)Polarizability: 19.86×10^-24cm³; (9)Surface Tension: 40.6 dyne/cm; (10)Density: 1.13 g/cm³; (11)Flash Point: 179 °C; (12)Enthalpy of Vaporization: 61.96 kJ/mol; (13)Boiling Point: 372.4 °C at 760 mmHg; (14)Vapour Pressure: 9.63E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1ccccc1B2OCCCO2
(2)InChI: InChI=1/C10H10BNO2/c12-8-9-4-1-2-5-10(9)11-13-6-3-7-14-11/h1-2,4-5H,3,6-7H2
(3)InChIKey: REQZFVYFYAZUMG-UHFFFAOYAH