{9-methoxy-9-borabicyclo[3.3.2]decan-10-yl}trimethylsilane

• ChemBase编号: 140662
• 分子式: C13H27BOSi
• 平均质量: 238.24938
• 单一同位素质量: 238.19242242
• SMILES: B1(C2CCCC(C1[Si](C)(C)C)CCC2)OC
• Canonical SMILES: COB1C2CCCC(C1[Si](C)(C)C)CCC2
• InChI: InChI=1S/C13H27BOSi/c1-15-14-12-9-5-7-11(8-6-10-12)13(14)16(2,3)4/h11-13H,5-10H2,1-4H3
• InChIKey: AUJACFLHZMIAEG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {9-methoxy-9-borabicyclo[3.3.2]decan-10-yl}trimethylsilane
• IUPAC传统名: {9-methoxy-9-borabicyclo[3.3.2]decan-10-yl}trimethylsilane
• 别名: 9-甲氧基-10-三甲基甲硅烷基-9-硼二环(3.3.2)癸烷; B-甲氧基-10-三甲基甲硅烷基-9-硼二环(3.3.2)癸烷; 10-TMS-9-Borabicyclo[3.3.2]decane; 10-TMS-9-BBD; 9-Methoxy-10-trimethylsilanyl-9-borabicyclo(3.3.2)decane; B-Methoxy-10-trimethylsilyl-9-borabicyclo(3.3.2)decane

登记号

• CAS号: 848617-93-6
• PubChem SID: 24885322; 162234903
• PubChem CID: 16218303

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.4185
• LogD (pH = 7.4): 5.4185
• Log P: 5.4185
• 摩尔折射率: 61.7491 cm^3
• 极化性: 28.845123 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 85 °C/0.4 mmHg
• 闪点: 138.2 °F; 59 °C
• 密度: 0.934 g/mL at 25 °C
• 折射率: n20/D 1.494

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 3148
• 德国WGK号: 3
• 联合国危险货物等级: 4.3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 10-14/15
• 安全公开号: 7-43
• GHS危险品标识: GHS02
• GHS警示词: Danger
• GHS危险声明: H226-H261
• GHS警示性声明: P231 + P232-P422
• 个人保护装置: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3148 4.3/PG 2
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C13H27BOSi

详细说明

Sigma Aldrich - 676667

包装
5, 25 g in glass bottle
Application
Soderquist Reagents: For allylboration, allenylboration, propargylborationReactant for:
• Palladium-catalyzed allylation reaction1
• Hydroboration of allenes2
• Stereoselective γ-methoxyallylation reactions3
• Asymmetric carboborylation reactions4
• Insertion and borotropic rearrangement reactions5
• Asymmetric Michael addition reactions6
• Asymmetric propargylation of aldehydes7
• Asymmetric allenylboration reactions8