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关于此项目
经验公式(希尔记法):
C13H16BNO2
化学文摘社编号:
分子量:
229.08
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352103
MDL number:
产品名称
3-氰基苯硼酸频哪醇酯, 97%
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
SMILES string
CC1(C)OB(OC1(C)C)c2cccc(c2)C#N
InChI key
FIGQEPXOSAFKTA-UHFFFAOYSA-N
assay
97%
mp
78-82 °C (lit.)
functional group
nitrile
Quality Level
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.
- 3-(Phenylamino)benzonitrile by copper-catalyzed Chan-Evans-Lam amination reaction.
- 3-(Trifluoromethyl)benzonitrile using potassium (trifluoromethyl)trimethoxyborate.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
Oxidative Trifluoromethylation of Arylboronates with Shelf-Stable Potassium (Trifluoromethyl) trimethoxyborate
Khan BA, et al.
Chemistry?A European Journal , 18(6), 1577-1581 (2012)
Chan-Evans-Lam amination of boronic acid pinacol (BPin) esters: overcoming the aryl amine problem
Vantourout JC, et al.
The Journal of Organic Chemistry, 81(9), 3942-3950 (2016)
Speciation control during Suzuki-Miyaura cross-coupling of haloaryl and haloalkenyl MIDA boronic esters
Fyfe JWB, et al.
Chemistry?A European Journal , 21(24), 8951-8964 (2015)
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