N-BOC-N-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)アニリン

tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

HCID 4712653

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 916587-44-5
標準SMILES: CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: MWNMXMKLILKYOS-UHFFFAOYSA-N
分子式: C18H28BNO4
平均分子量: 333.2 g/mol
単同位体質量: 333.21113878

名称と識別子

優先名称: tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
IUPAC: tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
現地名: N-BOC-N-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)アニリン
英語名: Methyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-carbamic acid tert-butyl ester
分子式: C18H28BNO4
分子量: 333.23

名称と別名

916587-44-5tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamateTert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamatetert-Butyl-N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateMFCD034904984-(tert-butoxycarbonyl-n-methylamino)phenylboronic acid, pinacol ester4-(BOC-Methylamino)phenylboronic acid, pinacol ester(4-boc-n-methyl-aminophenyl)boronic acid pinacol esterTERT-BUTYL METHYL[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CARBAMATEmethyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-carbamic acid tert-butyl esterSCHEMBL484122DTXSID60405739

名称をさらに表示

N-BOC-N-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)アニリン4-(BOC-Methylamino)phenylboronic acid,pinacol ester4-(Methylamino)benzeneboronic acid, pinacol ester, N-BOC protectedt-Butyl-n-methyl-n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateCarbamic acid, N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester2-{4-[(tert-Butoxycarbonyl)(methyl)amino]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, tert-Butyl methyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

AKOS015960061AB15546FS-5508tert-butyl N-methyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateDA-40565SY065748CS-0174617E78310

データベース識別子

CAS: 916587-44-5
PubChem CID: 4712653
DTXSID: DTXSID60405739
EC Number: 671-696-7
Nikkaji: J3.521.358I

物性

構造計算による物性

極性表面積: 48 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: 24
形式電荷: 0
複雑度: 448

物理化学的性質

融点: 83 · 83-84 °C
沸点: 421.6 · 421.6±28.0 °C(Predicted)
比重(密度): 1.06 · 1.06±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -0.2 · -0.20±0.50(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, P317, 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.