(2-BOC-アミノフェニル)ボロン酸

(2-BOC-aminophenyl)boronic acid

HCID 2773226

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 115377-94-1
標準SMILES: CC(C)(C)OC(=O)Nc1ccccc1B(O)O
InChIKey: RMEIKYSECODAHJ-UHFFFAOYSA-N
分子式: C11H16BNO4
平均分子量: 237.06 g/mol
単同位体質量: 237.11723839

名称と識別子

優先名称: (2-BOC-aminophenyl)boronic acid
IUPAC: [2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
現地名: (2-BOC-アミノフェニル)ボロン酸
英語名: (2-BOC-AMINOPHENYL)BORONIC ACID
分子式: C11H16BNO4
分子量: 237.06

名称と別名

(2-BOC-AMINOPHENYL)BORONIC ACIDRefChem:395428640-451-6115377-94-1(2-((tert-Butoxycarbonyl)amino)phenyl)boronic acid2-BOC-aminophenylboronic acidN-(tert-Butoxycarbonyl)-2-amino-1-phenylboronic acidMFCD02179450[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic AcidN-(tert-Butoxycarbonyl)-2-amino-1-phenylboronicacidCarbamic acid, N-(2-boronophenyl)-, 1,1-dimethylethyl ester(2-{[(tert-butoxy)carbonyl]amino}phenyl)boronic acid

名称をさらに表示

(2-BOC-アミノフェニル)ボロン酸2-(N-BOC-AMINO)PHENYLBORONIC ACIDAKOS BRN-0240C-(1,1-Dimethylethyl)ester2-BOC-aminophenylboronicaci(2-Boronophenyl)carbamicacidN-BOC-2-AMINOBENZENEBORONIC ACID2-(Boc-amino)benzeneboronic acidtert-Butyl (2-boronophenyl)carbamate2-(Boc-aMino)benzeneboronic acid, 96%

{2-[(tert-Butoxycarbonyl)amino]phenyl}boronic acidN-(TERT-BUTOXYC[2-(tert-butoxycarbonylamino)phenyl]boronic acid2-(TERT-BUTOXYCARBONYLAMINO)PHENYLBORONIC ACIDSCHEMBL1008543SCHEMBL295251322-(Boc-amino)phenylboronic acidDTXSID00378291

データベース識別子

CAS: 115377-94-1
PubChem CID: 2773226
DTXSID: DTXSID00378291
EC Number: 640-451-6
Nikkaji: J634.402J

物性

構造計算による物性

極性表面積: 78.8 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 265

物理化学的性質

融点: 123 · 123-125°C
比重(密度): 1.18 · 1.18±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 8.54 · 8.54±0.53(Predicted)
外見: solid
色: light yellow
CAS データベース: 115377 · 115377-94-1(CAS DataBase Reference)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.