4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1H-ピラゾール-1-アセトアミド

2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamide

HCID 56965734

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1083326-46-8
標準SMILES: CC1(C)OB(c2cnn(CC(N)=O)c2)OC1(C)C
InChIKey: XFYVLZVRMQJRCB-UHFFFAOYSA-N
分子式: C11H18BN3O3
平均分子量: 251.09 g/mol
単同位体質量: 251.14412184

名称と識別子

優先名称: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamide
IUPAC: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide
現地名: 4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1H-ピラゾール-1-アセトアミド
英語名: 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamide
分子式: C11H18BN3O3
分子量: 251.09

名称と別名

1083326-46-82-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamideDTXSID707192182-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamideRefChem:251827DTXCID50669964855-961-64-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetamideMFCD166602362-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamide2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide1H-Pyrazole-1-acetamide, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

名称をさらに表示

4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1H-ピラゾール-1-アセトアミド2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamide 95%

XFYVLZVRMQJRCB-UHFFFAOYSA-N2-[4-(tetramethyl-1,SCHEMBL25444571-(2-Amino-2-oxoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester(1-(2-AMINO-2-OXOETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTERAKOS015919945CS-W018985SB15552

データベース識別子

CAS: 1083326-46-8
PubChem CID: 56965734
DTXSID: DTXSID70719218
EC Number: 855-961-6

物性

構造計算による物性

極性表面積: 79.4 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 18
形式電荷: 0
複雑度: 332

物理化学的性質

沸点: 440.8 · 440.8±25.0 °C(Predicted)
比重(密度): 1.21 · 1.21±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 15 · 15+-.0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2933199090

化学と産業

応用分野

使用4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetamide, can be used in the preparation of pharmaceutical and biologically active compounds, including inhibitors and therapeutic agents.