λ1-copper(1+) ion bis(triphenylphosphane) boranuide

• ChemBase编号: 147945
• 分子式: C36H33BCuP2
• 平均质量: 601.951742
• 单一同位素质量: 601.14465222
• SMILES: [BH3-].c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Cu+]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[BH3-].[Cu+]
• InChI: InChI=1S/2C18H15P.BH4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-15H;1H4;/q;;-1;+1
• InChIKey: YVXRFTLDBYUBGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: λ^1-copper(1+) ion bis(triphenylphosphane) boranuide
• IUPAC传统名: λ^1-copper(1+) ion bis(triphenylphosphine) boranuide
• 别名: 双(三苯基膦)硼氢化铜(I); Bis(triphenylphosphine)copper(I) borohydride; Bis(triphenylphosphine)copper(I) tetrahydridoborate; Tetrahydridoboratobis(triphenylphosphine)copper(I)

登记号

• CAS号: 16903-61-0; 34010-85-0
• EC号: 240-951-0; 251-792-1
• MDL号: MFCD00013219
• PubChem SID: 24853327; 162242126
• PubChem CID: 10908163

理论计算性质

• 摩尔折射率: 81.6229 cm^3
• 极化性: 32.34495 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066

分子性质

理化性质

• 熔点: 164 °C (dec.)(lit.); ca 175°C dec.

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN2813
• 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): III
• 危险公开号: 15-36/37/38
• 安全公开号: 8-26-37-43
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS07
• GHS危险声明: H261-H315-H319-H335
• GHS警示性声明: P231+P232-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 线性分子式: [(C6H5)3P]2CuBH4

详细说明

Sigma Aldrich - 222364

包装
5 g in glass bottle
Application

• Reducing agent for reductive amination reactions1

参考文献

• Specific reagent for reduction of acid chlorides to aldehydes: Tetrahedron Lett., 1437 (1978); 975 (1979). Also reduces sulfonylhydrazones to alkanes: Tetrahedron Lett., 4031 (1980), and aryl azides to amines: J. Chem. Res. (Synop.), 17 (1981).
• In the presence of Lewis acids or HCl, reduces carbonyl compounds with good stereo- and chemo-selectivity, e.g. aldehydes in the presence of ketones: Tetrahedron Lett., 22, 675 (1981).