1-(シクロプロピルメチル)-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-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HCID 53407213CAS 1000801-75-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1(C)OB(c2cnn(CC3CC3)c2)OC1(C)C
InChIKey: LJUAHBJQFILHLS-UHFFFAOYSA-N
分子式: C13H21BN2O2
平均分子量: 248.13 g/mol
単同位体質量: 248.16960831

名称と識別子

優先名称: 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC: 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
現地名: 1-(シクロプロピルメチル)-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
英語名: 1-(CyclopropylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
分子式: C13H21BN2O2
分子量: 248.13

名称と別名

1000801-75-11-(Cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleDTXSID00695819RefChem:226438DTXCID00646568896-884-8MFCD154748871-Cyclopropylmethyl-1H-pyrazole-4-boronic acid, pinacol ester1-(CYCLOPROPYLMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOLE1-(cyclopropylmethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1H-Pyrazole, 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-CYCLOPROPYLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRAZOLE

名称をさらに表示

1-(シクロプロピルメチル)-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-Cyclopropylmethyl-1H-pyrazole-4-boronic acid picol ester1-(Cyclopropylmethyl)pyrazole-4-boronic Acid Pinacol Ester1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid, pinacol ester 97%1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-diboronalkane-2-yl)-1H-pyridineazole1-(Cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(contains varying amounts of Anhydride)

1-(cycl1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid pinacol esterSCHEMBL1559915LJUAHBJQFILHLS-UHFFFAOYSA-N(1-(CYCLOPROPYLMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTERAKOS015920208CS-W006691SB12170

データベース識別子

CAS: 1000801-75-1
PubChem CID: 53407213
DTXSID: DTXSID00695819
EC Number: 896-884-8

物性

構造計算による物性

極性表面積: 36.3 Å²
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: 3
重原子数: 18
形式電荷: 0
複雑度: 315

物理化学的性質

沸点: 362.8 · 362.8±15.0 °C(Predicted)
比重(密度): 1.14 · 1.14
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 2.07 · 2.07±0.10(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

上流・下流製品情報

上流原料

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)ピラゾール 4-bromo-1-(cyclopropylmethyl)-1H-pyrazole(SALTDATA: HCl)1H-Pyrazole, 1-(cyclopropylmethyl)-4-iodo-ビス(ピナコラト)ジボロン 1-(ブロモメチル)シクロプロパン炭酸ジセシウム N,N-ジメチルホルムアミド

サプライヤー50 社

上海康恩博医药科技有限公司17510465506 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]