morpholine borane

• ChemBase编号: 75250
• 分子式: C4H12BNO
• 平均质量: 100.95518
• 单一同位素质量: 101.10119441
• SMILES: O1CCNCC1.B
• Canonical SMILES: C1CNCCO1.B
• InChI: InChI=1S/C4H9NO.BH3/c1-3-6-4-2-5-1;/h5H,1-4H2;1H3
• InChIKey: IFVAHVOGOBRFSP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: morpholine borane
• IUPAC传统名: morpholine borane
• 别名: 吗啉硼烷; 硼烷吗啉络合物; 硼烷-吗啉,络合物 97%; Borane morpholine complex; NSC 93813; Trihydro(morpholine-N4)boron; Morpholineborane; Borane morpholine complex; Morpholine borane; Borane-morpholine complex

登记号

• CAS号: 4856-95-5
• EC号: 225-450-7
• MDL号: MFCD00066736
• PubChem SID: 24850854; 162040168
• PubChem CID: 6327109

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.218641
• LogD (pH = 7.4): -1.5465257
• Log P: -0.41137892
• 摩尔折射率: 23.7679 cm^3
• 极化性: 9.589044 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 93-95°C; 97-99 °C(lit.)

安全信息

• RTECS编号: QD8530000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); X
• 联合国危险货物编号: 3263; UN2925
• 德国WGK号: 3
• 联合国危险货物等级: 4.1; 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-22-34; 34
• 安全公开号: 16-26-36/37/39-45; 26-27-28-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H228-H301-H314-H318; H314
• GHS警示性声明: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 2

产品相关信息

• 纯度: 95%; 97%
• Empirical Formula (Hill Notation): C4H12BNO

详细说明

Sigma Aldrich - 180203

包装
5, 25 g in glass bottle
Application
Reactant involved in:
• Ethanolysis producing a reducing system1
• Being a reducing agent for synthesis of Rh nanoparticle / carbon nanotube catalysts2
• Stereoselective and regioselective reduction of steroidal ketones3
• Methanolic cleavage4

参考文献

• Selective reducing agent. Reactivity in carbonyl reductions is increased in acidic media: J. Am. Chem. Soc., 92, 4203 (1970); J. Chem. Soc., Perkin 2, 1948 (1973). For a review of amine boranes as selective reducing and hydroborating agents, see: Org. Prep. Proced. Int., 16, 335 (1984).
• Treatment with n-BuLi generates the lithium aminoborohydride, a powerful reducing agent similar to LiAH₄ in its reducing power, but air-stable and non-pyrophoric: J. Org. Chem., 59, 6378 (1994).