(1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphane; chloro({2-[2-(dimethylamino)phenyl]phenyl})palladium

• ChemBase编号: 152613
• 分子式: C28H37ClNPPd
• 平均质量: 560.446841
• 单一同位素质量: 559.1387005
• SMILES: CN(C)c1ccccc1c1ccccc1[Pd]Cl.C1C[C@H]2C[C@@H]1CC2PC1C[C@H]2CC[C@@H]1C2
• Canonical SMILES: C1C[C@@H]2C[C@H]1CC2PC1C[C@H]2C[C@@H]1CC2.Cl[Pd]c1ccccc1c1ccccc1N(C)C
• InChI: InChI=1S/C14H14N.C14H23P.ClH.Pd/c1-15(2)14-11-7-6-10-13(14)12-8-4-3-5-9-12;1-3-11-5-9(1)7-13(11)15-14-8-10-2-4-12(14)6-10;;/h3-8,10-11H,1-2H3;9-15H,1-8H2;1H;/q;;;+1/p-1/t;9-,10+,11+,12-,13?,14?
• InChIKey: YMZCYRNVJBOOCT-SBADXZPPSA-M

名称和登记号

名称

• IUPAC标准名: (1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphane; chloro({2-[2-(dimethylamino)phenyl]phenyl})palladium
• IUPAC传统名: (1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphane; chloro({2-[2-(dimethylamino)phenyl]phenyl})palladium
• 别名: 氯-[2'-(二甲氨基)-2-联苯基]-(二去甲冰片基膦)-钯; Chloro-[2′-(dimethylamino)-2-biphenylyl]-(dinorbornylphosphine)-palladium; SK-CC01-A; 2′-(Dimethylamino)-2-biphenylyl-palladium(II) chloride Dinorbornylphosphine complex

登记号

• CAS号: 359803-53-5
• MDL号: MFCD03427335
• PubChem SID: 24862157; 162246758
• PubChem CID: 11272965

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.002499
• LogD (pH = 7.4): 4.182644
• Log P: 4.1855
• 摩尔折射率: 71.1754 cm^3
• 极化性: 32.214294 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 160-170 °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: ≥99.0% (C)
• Empirical Formula (Hill Notation): C28H37ClNPPd

详细说明

Sigma Aldrich - 36037

Other Notes
用于 C-C 和 C-N 偶联反应（如 Suzuki 偶联、Heck 反应等）的对空气和水分稳定的高活性钯催化剂1,2
包装
1, 5 g in glass bottle
Legal Information
与 Solvias AG 联合销售