({[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlororutheniumylidene}methyl)tricyclohexylphosphanium; tetrafluoroboranuide

• ChemBase编号: 142962
• 分子式: C40H60BCl2F4N2PRu
• 平均质量: 858.6721738
• 单一同位素质量: 858.2943842
• SMILES: [B-](F)(F)(F)F.Cc1cc(c(c(c1)C)N1CCN(C1=[Ru](=C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)Cl)c1c(cc(cc1C)C)C)C
• Canonical SMILES: F[B-](F)(F)F.Cc1cc(C)cc(c1N1CCN(C1=[Ru](=C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)Cl)c1c(C)cc(cc1C)C)C
• InChI: InChI=1S/C21H26N2.C19H34P.BF4.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2-1(3,4)5;;;/h9-12H,7-8H2,1-6H3;1,17-19H,2-16H2;;2*1H;/q;+1;-1;;;+2/p-2
• InChIKey: KMTPXIJXNIAPCS-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: ({[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlororutheniumylidene}methyl)tricyclohexylphosphanium; tetrafluoroboranuide
• IUPAC传统名: ({[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlororutheniumylidene}methyl)tricyclohexylphosphanium tetrafluoroborate
• 别名: Piers 第二代复分解催化剂; [SIMes]二氯[(三环己基正膦基)亚甲基]四氟硼酸钌; 二氯[1,3-双(2,4,6-三甲基苯基)-2-咪唑烷亚基][(三环己基正膦基)亚甲基]四氟硼酸钌(II); Piers second generation metathesis catalyst; [SIMes]dichloro[(tricyclohexylphosphoranyl)methylidene]Ru tetrafluoroborate; Dichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene][(tricyclohexylphosphoranyl)methylidene]ruthenium(II) tetrafluoroborate

登记号

• CAS号: 832146-68-6
• MDL号: MFCD15144783
• PubChem SID: 162237188
• PubChem CID: 71310836

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 14.650428
• LogD (pH = 7.4): 14.676655
• Log P: 14.677
• 摩尔折射率: 203.3098 cm^3
• 极化性: 81.75766 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 176 °C (dec.)

安全信息

• 德国WGK号: 2
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C40H60BCl2F4N2PRu

详细说明

Sigma Aldrich - 707988

Other Notes
不接受大宗订购
包装
100, 500 mg in glass bottle
2 g in glass bottle
Legal Information
美国专利 7,365,140（以及相关国外等同专利）适用，UTI Limited Partnership 拥有专利权，Materia; Inc. 已从 UTI Limited Partnership 获得使用许可。销售该产品可向购买者转让限制使用研究许可。有关该许可的完整详细内容，请访问 sigma-aldrich.com/materialicense。如有疑问，请发送邮件至 aldrich@sial.com 与我们联系，或发送至 info@materia-inc.com 联系 Materia。
Application

• 2nd generation version of the 4-coordinate 707961.
• Active as low as -50 °C, which enables direct observation of reaction intermediates.1,2