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

• ChemBase编号: 151711
• 分子式: C46H65Cl2N2PRu
• 平均质量: 848.971461
• 单一同位素质量: 848.33059108
• SMILES: Cc1cc(c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(cc(cc1C)C)C)C.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
• InChI: InChI=1S/C21H26N2.C18H33P.C7H6.2ClH.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;1-7-5-3-2-4-6-7;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2/p-2
• InChIKey: FCDPQMAOJARMTG-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(phenylmethylidene)ruthenium; tricyclohexylphosphane
• IUPAC传统名: [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichloro(phenylmethylidene)ruthenium; tricyclohexylphosphine
• 别名: 1,3-双(2,4,6-三甲基苯基)-2-(咪唑烷亚基)(二氯苯亚甲基)(三环己基膦)钌; 苯亚甲基-1,3-双(2,4,6-三甲苯基)-2-(咪唑啉卡宾)(三环己基磷)二氯化钌; Grubbs 2 代催化剂; (1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene)dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium; Benzylidene[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(tricyclohexylphosphine)ruthenium; [1,3-Bis-(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium; Grubbs Catalyst, 2nd Generation

登记号

• CAS号: 246047-72-3
• MDL号: MFCD03453237
• PubChem SID: 162245861
• PubChem CID: 11147261

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 11.645725
• LogD (pH = 7.4): 11.688526
• Log P: 11.6891
• 摩尔折射率: 144.8913 cm^3
• 极化性: 57.393776 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: 143.5-148.5 °C(lit.)

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): C46H65Cl2N2PRu

详细说明

Sigma Aldrich - 569747

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Metathesis: Ruthenium-Based Metathesis CatalystsCatalyst for ring-closing metathesis, cross metathesis and ROMP1 able to produce trisubstituted olefins via cross metathesis,8 and ring closes olefins with excellent functional group tolerance and selectivity.9
Grubbs 2nd Generation CatalystGenerally more active compared to 1st generation catalysts and with a broader substrate scope, including sterically demanding or deactivated olefins such as 1,1-disubstituted olefins and α,β-unsaturated carbonyls.1,2,3,4,5,6,7
Other Notes
不接受批量订单
包装
100, 500 mg in glass bottle
2 g in glass bottle
Legal Information
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