基本情報
- CAS
1151802-22-0- 標準SMILES
CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C- InChIKey
NLWYVKHISUTBMY-UHFFFAOYSA-N- 分子式
- C12H19BN2O2
- 平均分子量
- 234.1 g/mol
- 単同位体質量
- 234.15395825
名称と識別子
- 優先名称
- 1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- IUPAC
- 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- 英語名
- 1-Cyclopropyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- 分子式
- C12H19BN2O2
- 分子量
- 234.1
名称と別名
1151802-22-01-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleDTXSID20731526RefChem:431931DTXCID10682270810-240-51-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD166590071-cyclopropyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester1-Cyclopropyl-4-(pinacolylboronate)-pyrazole1H-PYRAZOLE, 1-CYCLOPROPYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
名称をさらに表示
1-cyc1-Cyclopropyl-1H-pyrazole-4-boronicacidpinacolester,97%1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclopropyl-1H-pyrazoleNLWYVKHISUTBMY-UHFFFAOYSA-N1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-di...1-Cyclopropylpyrazole-4-boronic Acid Pinacol EsterSCHEMBL1987497(1-CYCLOPROPYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTERAKOS015946259
物性
構造計算による物性
- 極性表面積
- 36.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 302
物理化学的性質
- 沸点
- 354.3 · 354.3±15.0 °C(Predicted)
- 比重(密度)
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 酸解離定数(Pka)
- 3.33 · 3.33±0.12(Predicted)
- 外見
- 個体
- InChI
- InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10/h7-8,10H,5-6H2,1-4H3
- InChIKey
- NLWYVKHISUTBMY-UHFFFAOYSA-N
- SMILES
- N1(C2CC2)C=C(B2OC(C)(C)C(C)(C)O2)C=N1
化学的性質
化学的特性Type of white solid
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 3
- hs_code
- 2933199090
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用1-Cyclopropyl-4-(pinacolylboronate)-pyrazole is a triazolopyridazine compound with the potential to be used in the treatment of cancer, acting as an c-Met kinase inhibitor.
上流・下流製品情報
上流原料
サプライヤー100 社
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海有米得科技有限公司18964944463 · [email protected]
関連反応
23 件
化合物ノート
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