bis(bromopalladium); bis(tri-tert-butylphosphane)

• ChemBase编号: 135622
• 分子式: C24H54Br2P2Pd2
• 平均质量: 777.281082
• 单一同位素质量: 774.01372099
• SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.Br[Pd].Br[Pd]
• Canonical SMILES: CC(P(C(C)(C)C)C(C)(C)C)(C)C.CC(P(C(C)(C)C)C(C)(C)C)(C)C.[Pd]Br.[Pd]Br
• InChI: InChI=1S/2C12H27P.2BrH.2Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;;;;/h2*1-9H3;2*1H;;/q;;;;2*+1/p-2
• InChIKey: TTXZLVYSSFAHEL-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(bromopalladium); bis(tri-tert-butylphosphane)
• IUPAC传统名: bis(bromopalladium); bis(tri-tert-butylphosphane)
• 别名: 三叔丁基溴化膦钯(I); 二溴双(三叔丁基膦)化钯; 三特丁基膦溴化钯; Dibromobis(tri-tert-butylphosphino)dipalladium(I); Pd-113; [Pd(μ-Br)t-Bu3P]2; Dibromobis(tri-tert-butylphosphine)dipalladium; Palladium(I) tri-tert-butylphosphine bromide, dimer; Bromo(tri-tert-butylphosphine)palladium(I) dimer

登记号

• CAS号: 185812-86-6
• MDL号: MFCD04114019
• PubChem SID: 24885391

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.3845654
• LogD (pH = 7.4): 2.3847759
• Log P: 2.5937
• 摩尔折射率: 68.517 cm^3
• 极化性: 25.590317 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

分子性质

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 3393
• 德国WGK号: 3
• 联合国危险货物等级: 4.2
• 联合国危险货物包装类别(PG): 1
• 危险公开号: 14-17-34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H250-H261-H314
• GHS警示性声明: P222-P231 + P232-P280-P305 + P351 + P338-P310-P422
• 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 3393 4.2/PG 1
• 欧盟补充危害声明: Reacts violently with water.
• 保存温度: -20°C

产品相关信息

• 线性分子式: [Pd(C4H9)3PBr]2

详细说明

Sigma Aldrich - 677728

Application
Catalyst for C-C, C-N, and N-S bond formation.

• Catalyst for γ-arylation of α,β-unsaturated esters from silyl ketene acetals1 (eq. 1)
• Catalyst for carbon -sulfur bond formation2 (eq. 2)
• Catalyst for diastereoselective arylation of 4-substituted cyclohexyl esters3 (eq. 3)
• Catalyst for Suzuki coupling of hindered aryl bromides4 (eq. 4)
• Catalyst for Buchwald-Hartwig amination reaction of aryl halides4 (eq. 5)
• Catalyst for Negishi coupling reaction5 (eq. 6)
包装
1 g in glass bottle