CAS 214360-73-3 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (HCID 2734620)

基本情報

CAS: 214360-73-3
標準SMILES: CC1(C)OB(c2ccc(N)cc2)OC1(C)C
InChIKey: ZANPJXNYBVVNSD-UHFFFAOYSA-N
分子式: C12H18BNO2
平均分子量: 219.09 g/mol
単同位体質量: 219.14305922

名称と識別子

優先名称: 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
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)アニリン
英語名: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
分子式: C12H18BNO2
分子量: 219.09

名称と別名

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)anilineRefChem:516993629-061-7214360-73-34-Aminophenylboronic acid pinacol ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anilineMFCD020937214-Aminophenylboronic acid, pinacol ester(4-aminophenyl)boronic acid pinacol ester4-aminophenylboronic acid pinacolate4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine4-aminobenzeneboronic acid, pinacol ester

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)アニリン2-(4-アミノフェニル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン4-アミノフェニルボロン酸ピナコール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)アニリン4-アミノフェニルボロン酸ピナコールエステル4-アミノフェニルボロン酸, ピナコールエステル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)アニリン, min. 97%4-Aminophenylboronic acid pinacol ester 97%4-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenylaMineCAS:214360-73-3BenzenaMine, 4-(4,4,5,5-te4-Aminophenylboronic acid pinacolTriamcinolone Acetonide Impurity 13

物性

構造計算による物性

極性表面積: 44.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 244

物理化学的性質

融点: 165 · 165-169 °C (lit.)
沸点: 340 · 340.0±25.0 °C(Predicted)
比重(密度): 1.05 · 1.05±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム
酸解離定数(Pka): 4.24 · 4.24±0.10(Predicted)
外見: 結晶性粉末
色: ほぼ白～ライトベージュ
水溶解度: 不溶性
InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,14H2,1-4H3
InChIKey: ZANPJXNYBVVNSD-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
CAS データベース: 214360 · 214360-73-3(CAS DataBase Reference)

化学的性質

化学的特性almost white to light beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.9%): 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 47 reports by companies from 10 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 CategoriesSkin Irrit. 2 (97.9%)

安全データ

wgk: 3
tsca: No
PRTR法: 第一種指定化学物質
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

説明4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is an important organic reagent with an appearance ranging from white to yellow to orange powder to crystal. This compound can be used as a chemical reaction reagent or for preparing fluorescent probes.

使用4-Aminophenylboronic acid pinacol ester can be used as a reagent for:The preparation of substituted 3-phenyl-4H-1-benzopyran-4-ones by reacting with iodochromones via Pd catalyzed Suzuki-Miyaura cross-coupling reaction. Mercury(II) detection by fluorometry with new fluorogenic indicators based on through-bond energy transfer from pentaquinone to rhodamine. Rhodium-catalyzed amination reactions. Palladium-catalyzed Suzuki cross-coupling to synthesize potential antitubercular and antimicrobial compounds. It can also be used to prepare: Hexaphenylbenzene derivatives as a potential bioprobe and multichannel keypad system.Pyromellitic diimide-based polymer as matrix for solution-processable n-channel field-effect transistors. Alternating copolymers of oligoarylenes and naphthalene bisimides as low band-gap semiconductors with electrochemical and spectroelectrochemical behavior. γ-secretase modulators in the treatment of amyloid β formation.