2,6-ジメトキシ-5-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ピリミジン

2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester

HCID 16218388

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 936250-17-8
標準SMILES: COc1ncc(B2OC(C)(C)C(C)(C)O2)c(OC)n1
InChIKey: RKHZHTLJEUBARP-UHFFFAOYSA-N
分子式: C12H19BN2O4
平均分子量: 266.1 g/mol
単同位体質量: 266.14378749

名称と識別子

優先名称: 2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester
IUPAC: 2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
現地名: 2,6-ジメトキシ-5-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ピリミジン
英語名: 2,4-Dimethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrimidine
分子式: C12H19BN2O4
分子量: 266.1

名称と別名

2,4-Dimethoxypyrimidine-5-boronic acid pinacol esterRefChem:443706623-079-9936250-17-82,4-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidineMFCD067956542,4-Dimethoxypyrimidine-5-boronic acid, pinacol ester2,4-DIMETHOXY-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIMIDINE2,6-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidineSCHEMBL1182019DTXSID10584922RKHZHTLJEUBARP-UHFFFAOYSA-N

名称をさらに表示

2,6-ジメトキシ-5-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ピリミジン2,4-ジメトキシピリミジン-5-ボロン酸, ピナコールエステル2,4-ジメトキシピリミジン-5-ボロン酸ピナコールエステル2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester, 97%,2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl...2,4-diMethoxy-5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)pyriMidine2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-3-yl)pyrimidine2-(2,4-Dimethoxypyrimidin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolanePyrimidine, 2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine - [D87980]2,4-Dimethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrimidine ISO 9001：2015 REACH

AKOS015960068AB29178AC-33469AS-55779FD161242SY110310DB-226833CS-0173749

データベース識別子

CAS: 936250-17-8
PubChem CID: 16218388
DTXSID: DTXSID10584922
EC Number: 623-079-9

物性

構造計算による物性

極性表面積: 62.7 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 19
形式電荷: 0
複雑度: 311

物理化学的性質

沸点: 397.4 · 397.4±52.0 °C(Predicted)
比重(密度): 1.13 · 1.13±0.1 g/cm3 (20 ºC 760 Torr)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 2.43 · 2.43±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.