tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate

• ChemBase编号: 87388
• 分子式: C16H30BNO4
• 平均质量: 311.2247
• 单一同位素质量: 311.22678885
• SMILES: N1(C(=O)OC(C)(C)C)CCC(B2OC(C)(C)C(O2)(C)C)CC1
• Canonical SMILES: O=C(N1CCC(CC1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3
• InChIKey: IBLQMWKHENBVJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
• IUPAC传统名: tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
• 别名: 4-(4,4,5,5-四甲基-1,3,2-二氧杂环硼戊烷-2-基)-哌啶-1-羧酸叔丁酯; 1-N-叔丁氧羰基哌啶-4-硼酸频哪醇酯; 1-(tert-Butoxycarbonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine; tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate; Piperidine-4-boronic acid, pinacol ester, N-BOC protected 97%; tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-piperidine-1-carboxylate; N-Boc-piperidine-4-boronic acid pinacol ester; tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate

登记号

• CAS号: 1048970-17-7
• MDL号: MFCD09997792
• PubChem SID: 162074491
• PubChem CID: 43811073

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.2819
• LogD (pH = 7.4): 3.2819
• Log P: 3.2819
• 摩尔折射率: 80.9492 cm^3
• 极化性: 34.01851 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 56-65°C; 60-65 °C

安全信息

• 保存注意事项: Harmful/Irritant/Keep Cold/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95+%; 97%
• Empirical Formula (Hill Notation): C16H30BNO4

详细说明

Sigma Aldrich - 715387

包装
1 g in glass bottle
250 mg in glass bottle