ChemicalBook > CAS DataBase List > 5-Cyano-2-methylphenylboronic acid

5-Cyano-2-methylphenylboronic acid

Product Name
5-Cyano-2-methylphenylboronic acid
CAS No.
867333-43-5
Chemical Name
5-Cyano-2-methylphenylboronic acid
Synonyms
5-Cyano-2-methylphenylboronic acid;Boronicacid,B-(5-cyano-2-methylphenyl)-;(5-Cyano-2-methylphenyl)boronic acid 97%;(5-Cyano-2-methylphenyl)boronic acid(contains varying amounts of Anhydride)
CBNumber
CB82513500
Molecular Formula
C8H8BNO2
Formula Weight
160.97
MOL File
867333-43-5.mol
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5-Cyano-2-methylphenylboronic acid Property

Boiling point:
373.4±52.0 °C(Predicted)
Density 
1.20±0.1 g/cm3(Predicted)
storage temp. 
Inert atmosphere,Room Temperature
pka
7.25±0.58(Predicted)
Appearance
White to off-white Solid
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Safety

HS Code 
2931900090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

TRC
Product number
C987678
Product name
5-Cyano-2-methylphenylboronicacid
Packaging
100mg
Price
$65
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC42853
Product name
5-Cyano-2-methylphenylboronic acid
Packaging
100mg
Price
$83
Updated
2021/12/16
Apolloscientific
Product number
OR360278
Product name
(5-Cyano-2-methylphenyl)boronicacid
Purity
97%
Packaging
250mg
Price
$116
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC42853
Product name
5-Cyano-2-methylphenylboronic acid
Packaging
250mg
Price
$150
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC42853
Product name
5-Cyano-2-methylphenylboronic acid
Packaging
500mg
Price
$220
Updated
2021/12/16
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5-Cyano-2-methylphenylboronic acid Chemical Properties,Usage,Production

Synthesis

121-43-7

42872-74-2

867333-43-5

Step 1: Synthesis of 5-cyano-2-methylphenylboronic acid First, 9.5 g (50 mmol) of 3-bromo-4-methylbenzonitrile was placed in a 500 mL three-necked flask and the atmosphere inside the flask was replaced with nitrogen. Then, 250 mL of tetrahydrofuran (THF) was added and the mixture was stirred at -78 °C for 30 min. Slowly 34 mL (55 mmol) of 1.63 M hexane solution of n-butyllithium (n-BuLi) was added dropwise to the above mixture and the reaction was maintained at -78 °C for 1.5 hours. Subsequently, 7.3 mL (65 mmol) of trimethyl borate was added to the reaction system, and the reaction solution was slowly warmed to room temperature and stirred for 20 hours. Upon completion of the reaction, 100 mL of 1 M hydrochloric acid was added to the system and stirred for 30 minutes. The reaction mixture was transferred to a partition funnel and the aqueous and organic layers were separated. The aqueous layer was extracted with ethyl acetate, the organic phase and extract were combined and washed with saturated sodium chloride solution. Anhydrous magnesium sulfate was added to the washed organic phase to dry. After drying, gravity filtration was performed and the filtrate was concentrated to obtain the crude product. The crude product was washed with toluene and hexane to give 4.3 g of white solid in 53% yield. The resulting white solid was confirmed to be 5-cyano-2-methylphenylboronic acid by nuclear magnetic resonance (NMR) spectral analysis. The synthesis scheme of step 1 is shown below (a-10).

References

[1] Patent: WO2016/203350, 2016, A1. Location in patent: Paragraph 1195
[2] Journal of the American Chemical Society, 2002, vol. 124, # 31, p. 9014 - 9015

5-Cyano-2-methylphenylboronic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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5-Cyano-2-methylphenylboronic acid Suppliers

PharmaBlock Sciences (Nanjing),Inc.
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Bide Pharmatech Ltd.
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Shanghai ShiXian Chemical Technology Co., Ltd.
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18681884732
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China
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Hangzhou J&H Chemical Co., Ltd.
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China
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View Lastest Price from 5-Cyano-2-methylphenylboronic acid manufacturers

Henan Fengda Chemical Co., Ltd
Product
5-Cyano-2-methylphenylboronic acid 867333-43-5
Price
US $34.00-1.20/kg
Min. Order
1kg
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2024-04-08