2-[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)フェニル]酢酸メチル

Methyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

HCID 11219601

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 454185-98-9
標準SMILES: COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: NBPODFADVLNXKO-UHFFFAOYSA-N
分子式: C15H21BO4
平均分子量: 276.14 g/mol
単同位体質量: 276.15328955

名称と識別子

優先名称: Methyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
IUPAC: methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
現地名: 2-[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)フェニル]酢酸メチル
英語名: (4-METHOXYCARBONYLMETHYLPHENYL)BORONIC ACID PINACOL ESTER
分子式: C15H21BO4
分子量: 276.14

名称と別名

METHYL 2-[4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETATEmethyl 2-(4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateRefChem:813446855-049-8454185-98-9Methyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateMethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate(4-Methoxycarbonylmethyl)phenylboronic acid pinacol esterMFCD09997797(4-Methoxycarbonylmethylphenyl)boronic acid pinacol ester4-(Methoxycarbonylmethyl)phenylboronic Acid Pinacol EsterAB7371

名称をさらに表示

2-[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)フェニル]酢酸メチルmethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-(4-Methoxycarbonylmethylphenyl)boronic acid picol esterMethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[4-(Methoxycarbonyl)methyl]benzeneboronicacidpinacolester(4-Methoxycarbonylmethyl)Phenylboronic Acid Pinacol Ester,>98%(4-Methoxycarbonylmethylphenyl) boronic acid pinacol ester - [M12474]

AS-2758SY025367EN300-175258Methyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetatemethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetatemethyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateSCHEMBL481948DTXSID90459189

データベース識別子

CAS: 454185-98-9
PubChem CID: 11219601
DTXSID: DTXSID90459189
EC Number: 855-049-8
Nikkaji: J3.534.898K

物性

構造計算による物性

極性表面積: 44.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 20
形式電荷: 0
複雑度: 343

物理化学的性質

融点: 41 · 41-45 °C
沸点: 363 · 363.0±25.0 °C(Predicted)
比重(密度): 1.07 · 1.07±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: soluble in Methanol
外見: powder to crystal
色: White to Orange to Green
CAS データベース: 454185 · 454185-98-9

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)

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