HCID53302321

tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

C20H30BNO4359.3 g/molCAS 937048-76-5

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IDENTITY

结构与身份

标准 SMILES: CC(C)(C)OC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1
InChIKey: UPDWDCOAUJYOTG-UHFFFAOYSA-N
分子式: C20H30BNO4
平均分子量: 359.3 g/mol
单同位素质量: 359.2267886

COMPUTED

结构计算性质

已同步

极性表面积: 48 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 26
形式电荷: 0
复杂度: 526

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 29 条

937048-76-5tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylateMFCD110446742(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl estertert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)boronic acid pinacol estertert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl estertert-butyl 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate2-?Boc-?1,?2,?3,?4-?tetrahydroisoquinoli?ne-?7-?boronic acid pinacol ester2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinolineSCHEMBL2515678SCHEMBL29964782UPDWDCOAUJYOTG-UHFFFAOYSA-N2-Boc-3,4-dihydro-1H-isoquinoline-7-boronic acid pinacol esterMMB04876AKOS015900867CS-W000580SB18410AS-32957

REACTIONS