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Merck
CN
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文件

安全信息

636002

Sigma-Aldrich

1-苄基吡唑-4-硼酸频哪醇酯

95%

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别名:
1-苄基-4-(4,4,5,5-四甲基-1,3,2-二氧杂环硼戊烷-2-基)-1H-吡唑, 1-苄基-4-吡唑硼酸频哪醇酯
经验公式（希尔记法）:
C16H21BN2O2
CAS号:
761446-45-1
分子量:
284.16
MDL编号:
MFCD03789252
UNSPSC代码:
12352103
PubChem化学物质编号:
24882750
NACRES:
NA.22

检测方案

95%

形式

solid

mp

86-90 °C (lit.)

SMILES字符串

CC1(C)OB(OC1(C)C)c2cnn(Cc3ccccc3)c2

InChI

1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-18-19(12-14)11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3

InChI key

ZVPORPUUZXIPEF-UHFFFAOYSA-N

应用

1-Benzylpyrazole-4-boronic acid pinacol ester can be used:
  • As a model compound in the study of the stability of boronate esters in different alcohols using the LCMS technique.
  • As a substrate in the study of palladium-catalyzed methylation of heteroaryl boronate esters using iodomethane.
  • As a substrate in the preparation of bromodifluoromethylthiolated arenes, applicable in the radiosynthesis of [18F]ArylSCF3 compounds.

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)

法规信息

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Synthesis and Reactivity of α-Cumyl Bromodifluoromethanesulfenate: Application to the Radiosynthesis of [18F] ArylSCF3
Wu J, et al.
Angewandte Chemie (International ed. in English), 58(8), 2413-2417 (2019)
Palladium-Catalyzed Methylation of Aryl, Heteroaryl, and Vinyl Boronate Esters
Haydl AM and Hartwig JF
Organic Letters, 21(5), 1337-1341 (2019)
Applications of 2, 2, 2 trifluoroethanol as a versatile co-solvent in supercritical fluid chromatography for purification of unstable boronate esters, enhancing throughput, reducing epimerization, and for additive free purifications
Asokan K, et al.
Journal of Chromatography A, 1531, 122-130 (2018)

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