bromo(2,5-dioxopyrrolidin-1-yl)palladium; bis(triphenylphosphane)

• ChemBase编号: 142096
• 分子式: C40H34BrNO2P2Pd
• 平均质量: 808.974982
• 单一同位素质量: 807.02830059
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.C1CC(=O)N(C1=O)[Pd]Br
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Br[Pd]N1C(=O)CCC1=O
• InChI: InChI=1S/2C18H15P.C4H5NO2.BrH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-3-1-2-4(7)5-3;;/h2*1-15H;1-2H2,(H,5,6,7);1H;/q;;;;+2/p-2
• InChIKey: KYQYWUJRFOCJEW-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bromo(2,5-dioxopyrrolidin-1-yl)palladium; bis(triphenylphosphane)
• IUPAC传统名: bromo(2,5-dioxopyrrolidin-1-yl)palladium; bis(triphenylphosphine)
• 别名: 溴双(三苯基膦)(N-琥珀酰亚胺)钯(II); 反式-溴(N-琥珀酰亚胺基)双(三苯基膦)钯(II); [Pd(NCOC2H4CO)(PPh3)2Br]; Bromobis(triphenylphosphine)(N-succinimide)palladium(II); trans-Bromo(N-succinimidyl)bis(triphenylphosphine)palladium(II)

登记号

• CAS号: 251567-28-9
• MDL号: MFCD06411335
• PubChem SID: 162236327; 24883292
• PubChem CID: 11434313

理论计算性质

• 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
• 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: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 223-228 °C (dec.)(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C40H34BrNO2P2Pd

详细说明

Sigma Aldrich - 643742

Application
Catalyst for C-C bond formation, e.g. Stille coupling reaction and Suzuki coupling.
包装
1 g in glass bottle