6-(Boc-methylamino)pyridine-3-boronic acid pinacol ester

HCID 44541676

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基本情報

CAS: 1032758-87-4
標準SMILES: CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: QGBJKHALDLKAGX-UHFFFAOYSA-N
分子式: C17H27BN2O4
平均分子量: 334.2 g/mol
単同位体質量: 334.20638774

名称と識別子

優先名称: 6-(Boc-methylamino)pyridine-3-boronic acid pinacol ester
IUPAC: tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
英語名: 6-(tert-Butyloxycarbonyl-methylamino)pyridine-3-boronic acid pinacol ester
分子式: C17H29BN2O5
分子量: 352.23356

名称と別名

6-(Boc-methylamino)pyridine-3-boronic acid pinacol esterRefChem:539568680-909-21032758-87-4tert-Butyl methyl(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamatetert-Butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamateMFCD09037484TERT-BUTYL N-METHYL-N-[5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDIN-2-YL]CARBAMATE6-(N-Boc-methylamino)pyridine-3-boronic acid pinacol esterAKOS015949653tert-Butyl N-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl]-N-methylcarbamatemethyl-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-carbamic acid tert-butyl ester

名称をさらに表示

6-(tert-Butyloxycarbonyl-methylamino)pyridine-3-boronic acid pinacol ester

tert-Butyl methyl[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamateSCHEMBL1181140SCHEMBL298279996-[Boc(methyl)amino]pyridine-3-boronic Acid Pinacol EsterDTXSID00659279SB83301(6-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTERtert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]carbamate

データベース識別子

CAS: 1032758-87-4
PubChem CID: 44541676
DTXSID: DTXSID00659279
EC Number: 680-909-2

物性

構造計算による物性

極性表面積: 60.9 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 24
形式電荷: 0
複雑度: 460

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 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.