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Merck
CN
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文件

安全信息

636010

Sigma-Aldrich

3,5-二甲基吡唑-4-硼酸频那醇酯

97%

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别名:
3,5-二甲基-4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)-1H-吡唑, 3,5-二甲基-4-吡唑硼酸频哪醇酯
经验公式（希尔记法）:
C11H19BN2O2
CAS号:
857530-80-4
分子量:
222.09
MDL编号:
MFCD05663852
UNSPSC代码:
12352103
PubChem化学物质编号:
24882751
NACRES:
NA.22

质量水平

100

检测方案

97%

形式

solid

mp

163-168 °C (lit.)

SMILES字符串

Cc1n[nH]c(C)c1B2OC(C)(C)C(C)(C)O2

InChI

1S/C11H19BN2O2/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3,(H,13,14)

InChI key

GNUDAJTUCJEBEI-UHFFFAOYSA-N

相关类别

应用

3,5-Dimethylpyrazole-4-boronic acid pinacol ester can be used:
  • To synthesize 9H-pyrimido[4,5-b]indole and aryl-benzimidazole based BET bromodomain and extra terminal (BET) protein inhibitors.
  • To prepare naphthalimide based photo-exchangeable photochromic fluorescent molecules.
  • As a reactant to develop DNA-encoded chemical libraries by palladium-catalyzed Suzuki coupling reaction with DNA-linked aryl halides.

WGK

WGK 3

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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Structure-guided discovery of a novel, potent, and orally bioavailable 3, 5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor
Sperandio D, et al.
Bioorganic & Medicinal Chemistry, 27(3), 457-469 (2019)
Development of DNA-compatible suzuki-miyaura reaction in aqueous media
Li J and Huang H
Bioconjugate Chemistry, 29(11), 3841-3846 (2018)
Investigation of Photochromic Fluorescence Features and Synthesis of Diarylethene Type Naphthalimide Compounds
Orhan E and Narin M
Journal of the Turkish Chemical Society Section A: Chemistry, 7(1), 97-106 (2020)
Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9 H-pyrimido [4, 5-b] indol-7-yl)-3, 5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor
Zhao Y, et al.
Journal of medicinal chemistry, 60(9), 3887-3901 (2017)

商品

Suzuki-Miyaura Cross-Coupling Reagents

Suzuki-Miyaura cross-coupling reaction is extensively used in organic chemistry, polymer science, and pharmaceutical industries.

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