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(2-BROMOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

(2-BROMOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER structure

CAS No:
377780-72-8
Formula:
C13H18BBrO2
Chemical Name:
(2-BROMOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER
Synonyms:
2-(BROMOMETHYL)BENZENEBORONIC ACID PINACOL ESTER;(2-BROMOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER;2-(Bromomethyl)benzeneboronicacidpinacolcyclicester;2-(2-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl bromide;2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide;(2-BROMOMETHYLPHENYL)BORONIC ACID, PICOL ESTER
Categories:
Organic Chemistry > Coordination Complexes

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(2-BROMOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER Basic Attributes

Molecular Weight：

297

Exact Mass：

296.058319

DSSTox ID：

DTXSID60397089

HScode：

2934999090

Characteristics

PSA：

18.5

XLogP3：

2.88070

Density：

1.3±0.1 g/cm3

Melting Point：

78-80°C

Boiling Point：

360.6°C at 760 mmHg

Flash Point：

171.9±23.2 °C

Refractive Index：

1.524

Storage Conditions：

Keep Cold

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant/Keep Cold

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(2-BROMOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER Use and Manufacturing

To a three-necked flask equipped with a Dean-Stark trap was added 30 mL of toluene, Then 2-methylbenzeneboronic acid (0.21 g, 1.55 mmol) was added, Pinacol-H2O (0.22 g, 1.86 mmol), The resulting mixture was heated to reflux for two hours.After the reaction, The mixture was washed with water (30 mL x 3)Unreacted pinacol and phenylboronic acid were removed, The separated organic phase was then evaporated under reduced pressure to remove the toluene solvent.The resulting crude product was dissolved with dichloromethane (50 mL)After washing again (30 mL)To the resulting organic phase, anhydrous sodium sulfate was added for drying, The dried solution was evaporated under reduced pressure to give 0.32 g of crude product.The resulting crude product (0.32 g, 1.47 mmol)NBS (N-bromosuccinimide, 0.39 g, 2.2 mmol), AIBN (azobisisobutyronitrile, 0.003 g, 0.018 mmol) dissolved in acetonitrile (10 mL).The resulting reaction solution was refluxed at 90 ° C for two hours.After cooling at room temperature, The solvent was distilled off under reduced pressure, Crude product.The resulting crude product was purified by silica gel column chromatography, With petroleum ether (60 ~ 90 ) / ethyl acetate (v / v) = 1: 1 as eluent, The product was obtained as a white solid (0.53 g, 80percent yield).

Computed Properties

Molecular Weight:297.00
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:296.05832
Monoisotopic Mass:296.05832
Topological Polar Surface Area:18.5
Heavy Atom Count:17
Complexity:265
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 377780-72-8

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2-Bromomethylphenylboronic acid pinacol ester

CAS No.: 377780-72-8

Content: 99.00%

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Guide of (2-BROMOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

(2-BROMOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER

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