[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichloro(3-methylbut-2-en-1-ylidene)ruthenium; tricyclohexylphosphane

• ChemBase编号: 140956
• 分子式: C44H67Cl2N2PRu
• 平均质量: 826.965941
• 单一同位素质量: 826.34624114
• SMILES: Cc1cc(c(c(c1)C)N1CCN(C1=[Ru](=CC=C(C)C)(Cl)Cl)c1c(cc(cc1C)C)C)C.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.CC(=CC=[Ru](=C1N(CCN1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)(Cl)Cl)C
• InChI: InChI=1S/C21H26N2.C18H33P.C5H8.2ClH.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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(2)3;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1,4H,2-3H3;2*1H;/q;;;;;+2/p-2
• InChIKey: LCOFYVWULBZOTA-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichloro(3-methylbut-2-en-1-ylidene)ruthenium; tricyclohexylphosphane
• IUPAC传统名: [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichloro(3-methylbut-2-en-1-ylidene)ruthenium; tricyclohexylphosphine
• 别名: [SIMes]二氯(3-甲基-2-亚丁烯基)(三环己基膦)Ru(II); 异亚戊烯基(1,3-双(2,4,6-三甲基苯基)-咪唑烷-2-亚基)(三环己基膦)二氯化钌(II); 二氯[1,3-双(2,4,6-三甲基苯基)-2-咪唑烷亚基](3-甲基-2-亚丁烯基)(三环己基膦)钌(II); Isopentenylidene(1,3-dimesitylimidazolidin-2-ylidene) (tricyclohexylphosphine)ruthenium(II) dichloride; [SIMes]dichloro(3-methyl-2-butenylidene)(tricyclohexylphosphine)Ru(II); Dichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene](3-methyl-2-butenylidene) (tricyclohexylphosphine)ruthenium(II)

登记号

• CAS号: 253688-91-4
• MDL号: MFCD09265165
• PubChem SID: 162235193; 24885711
• PubChem CID: 11343397

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 10.597273
• LogD (pH = 7.4): 10.643774
• Log P: 10.6444
• 摩尔折射率: 138.5708 cm^3
• 极化性: 54.86476 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

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 德国WGK号: 3
• 危险公开号: 11
• GHS危险品标识: GHS02
• GHS警示词: Warning
• GHS危险声明: H228
• GHS警示性声明: P210
• 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

• Empirical Formula (Hill Notation): C44H67Cl2N2PRu

详细说明

Sigma Aldrich - 682365

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 5,969,170 和 7,329,758（以及上述专利的相关国外等同专利）均适用。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
Metathesis: Ruthenium-Based Metathesis CatalystsSimilar in reactivity to the Grubbs 2nd Generation Catalyst, but slower to initiate. This catalyst has broad utility.1,2,3Catalyst for:
• Ring-closing metathesis reactions4
• Ruthenium-catalyzed tandem enyne cross metathesis/cyclopropanation5
• Ruthenium-catalyzed stereoselective tandem cross-metathesis/Wittig olefination6
• Cross and ring-closing metatheses7
• Olefin cross-metathesis catalyzed by ruthenium alkylidene complexes8