2-methylpropan-2-amine borane

• ChemBase编号: 137736
• 分子式: C4H14BN
• 平均质量: 86.97166
• 单一同位素质量: 87.12192985
• SMILES: B.CC(C)(C)N
• Canonical SMILES: CC(N)(C)C.B
• InChI: InChI=1S/C4H11N.BH3/c1-4(2,3)5;/h5H2,1-3H3;1H3
• InChIKey: GKFJEDWZQZKYHV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylpropan-2-amine borane
• IUPAC传统名: erbumine borane
• 别名: 叔丁基胺硼烷; 甲硼烷-叔丁胺络合物; 硼烷-叔丁胺络合物; NSC 114045; Trihydro(2-methyl-2-propanamine) boron; tert-Butylamine borane; Borane tert-butylamine complex; tert-Butylamine-borane; Borane-tert-butylamine complex

登记号

• CAS号: 7337-45-3
• EC号: 230-851-5
• MDL号: MFCD00075635
• Beilstein号: 4134905
• PubChem SID: 24851852; 162231997; 24849571; 24850855
• PubChem CID: 6364547

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -2.6013281
• LogD (pH = 7.4): -2.3995833
• Log P: 0.42850077
• 摩尔折射率: 23.7244 cm^3
• 极化性: 9.648022 Å^3
• 极化表面积: 26.02 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

• 外观: pellets; powder
• 熔点: 93-97 °C; 96-98°C; 98-100 °C (dec.)(lit.)
• 密度: 0.870

安全信息

• RTECS编号: EO3900000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 21-25-36/37/38
• 安全公开号: 20-26-36/37-45; 26-36/37-45
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H311-H315-H319-H335
• GHS警示性声明: P261-P280-P301 + P310-P305 + P351 + P338-P312; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥97.0% (N); 97%
• 级别: purum
• 直径: 11 mm
• 产品重量: ~0.4 g (pellet)
• 线性分子式: (CH3)3CNH2 · BH3

详细说明

Sigma Aldrich - 180211

包装
25, 100 g in glass bottle
Application
Reactant involved in:
• Non-destructive analyses and conservation treatments of Indian drawings1
• Dehydrogenation reactions mediated by ruthenium bidentate phosphine complexes2 or ruthenium / iridium bis(N-heterocyclic carbene) complexes3
• The formation of σ-borane complexes4
• Ethanolysis of amine-borane adducts to form a reducing system for transfer hydrogenation of terminal olefins5
• Photochemical hydroboration and oxidation of single-walled carbon nanotubes6

Sigma Aldrich - 197939

Application
一种水溶性硼烷还原剂
Reactant involved in:
• Non-destructive analyses and conservation treatments of Indian drawings1
• Dehydrogenation reactions mediated by ruthenium bidentate phosphine complexes2 or ruthenium / iridium bis(N-heterocyclic carbene) complexes3
• The formation of σ-borane complexes4
• Ethanolysis of amine-borane adducts to form a reducing system for transfer hydrogenation of terminal olefins5
• Photochemical hydroboration and oxidation of single-walled carbon nanotubes6

Sigma Aldrich - 15582

Other Notes
综述1

参考文献

• Solid, water-soluble reducing agent. For use in stereoselective reduction of a steroidal ketone, see: Synth. Commun., 11, 875 (1981). Reduces aldehydes, generated in situ by hydrolysis of acetals with aqueous triflic acid in THF, to primary alcohols: Synlett, 59 (1999). For a review of amine boranes as selective reducing and hydroborating agents, see: Org. Prep. Proced. Int., 16, 335 (1984).