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246047-72-3

Basic Information
CAS No.: 246047-72-3
Name: Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-,(SP-5-41)-
Article Data: 15
Cas Database
Molecular Structure:
Molecular Structure of 246047-72-3 (Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-,(SP-5-41)-)
Formula: C46H65Cl2N2PRu
Molecular Weight: 849.993
Synonyms: (1,3-Dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine)benzylideneruthenium dichloride;(1,3-Dimesitylimidazolin-2-ylidene)(tricyclohexylphosphine)rutheniumdichloride;Benzylidene(1,3-dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine)rutheniumdichloride;Benzylidenedichloro(1,3-dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine)ruthenium;Grubbs Catalyst 2nd. generation;Grubbs II catalyst;Grubbs-Herrmann catalyst;Grubbs'Ru-dihydroimidazolylidene catalyst;Second generation Grubbs catalyst;[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium;
EINECS: 688-322-3
Density: N/A
Melting Point: 143.5-148.5 °C(lit.)
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: pink-brown to red-purple crystals or powder
Hazard Symbols: F
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information: N/A
PSA: 20.07000
LogP: 13.86190
Synthetic route

Grubbs catalyst first generation

173035-11-5

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
In tetrahydrofuran at 25℃; for 2h; Inert atmosphere; Glovebox;94%
782479-45-2

1,3-di(2,4,6-trimethylphenyl)-2-(pentafluorophenyl)-2,4,5-trihydroimidazole

Grubbs catalyst first generation

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
In toluene mixt. of Ru complex and imidazolidine in toluene was heated at 60°C for 4 h;91%

Grubbs catalyst first generation

260054-47-5

1,3-bis(2,4,6-trimethylphenyl)-2-(trichloromethyl)imidazolidine

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
In toluene mixt. of Ru complex and imidazolidine in toluene was heated at 60°C for 4 h;87%
In toluene byproducts: PCy3, CHCl3; (N2); using Schlenk techniques; mixing of (Mes2C3N2H5)(CCl3) and (PCy3)2Cl2Ru(CHPh) in toluene; heating at 60°C for 90 min; cooling to room temp., removal of solvent under vac., washing with methanol and pentane, drying under vac. for 12 h;84%

RuCl2(sIMes)(CHPh)(pyridine)2

58656-04-5

tris(cyclohexyl)phosphonium tetrafluoroborate

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
In toluene byproducts: pyridinium tetrafluoroborate, pyridine; 1.1 equiv. of phosphonium salt; passage through silica plug;80%

Grubbs catalyst first generation

173035-10-4

1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
With KO(C(CH3)3) In hexane byproducts: KCl, C(CH3)3OH, PCy3; using Schlenk techniques; mixing of (Mes2C3N2H5)(Cl), KO(t-Bu) and (PCy3)2Cl2Ru(CHPh) in anhyd. hexane; degassing of soln. by pulling vac. for afew minutes, heating at 60°C for 24 h in vac. with very vigorous stirring; cooling to room temp., opening the flask to air, addn. of 1:1 2-propanol:water; stirring in air for 30 min, filtration, washing with 2-propanol:water and with hexane, drying under vac. overnight, elem. anal.;75%
With potassium tert-butylate In hexane at 60℃; for 24h; Schlenk technique;75%
With KOC(CH3)3 In toluene mixing N compd., Ru complex, K compd. in toluene at 50°C;

Grubbs catalyst first generation

N,N'-dimesityl-4,5-dihydro-1H-imidazolium tetrafluoroborate

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
Stage #1: N,N'-dimesityl-4,5-dihydro-1H-imidazolium tetrafluoroborate With potassium tert-butylate In tetrahydrofuran at 20℃; for 1h; Schlenk technique; Inert atmosphere;
Stage #2: Grubbs catalyst first generation In benzene at 80℃; for 1.5h; Schlenk technique; Inert atmosphere;
56%
With KO(C(CH3)3) In benzene byproducts: KBF4, C(CH3)3OH, PCy3; (N2); using Schlenk techniques; mixing of (Mes2C3N2H5)(BF4), KO(t-Bu) and THF; stirring for 1 h; addn. of (PCy3)2Cl2Ru(CHPh) in benzene; heatingat 80°C for 30 min; removal of volatiles under vac., suspending in benzene, filtration over Celite, concn., addn. of methanol, pptn., washing with methanol, pentaneand then drying under vac.;45%

RuCl2(sIMes)(CHPh)(pyridine)2

2622-14-2

tricyclohexylphosphine

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
With C5((2)H)5N In not given under Ar or N2; Ru complex reacts instantaneously with the phosphine; addn. of an excess of C5((2)H)5N leads to a formation of the bis(pyridine-d5) complex; evapn. of volatiles in vac. leads to a reformation of the phosphine complex;

Grubbs catalyst first generation

bis[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)ruthenium(II)

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
In benzene-d6 (N2); using Schlenk techniques; charging of NMR tube with Ru(CHPh)Cl2(C3N2H4Mes2)2, (PCy3)2(Cl)2Ru(CHPh) (1 equiv.) and C6D6; heating at 70°C for 47 h; monitoring by NMR;

bis[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)ruthenium(II)

2622-14-2

tricyclohexylphosphine

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
In benzene-d6 (N2); using Schlenk techniques; charging of NMR tube with Ru(CHPh)Cl2(C3N2H4Mes2)2, PCy3 (excess) and C6D6; heating at 80°C for 36 h; monitoring by NMR;

[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro-(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II)

246047-72-3

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride

Conditions
ConditionsYield
In tetrahydrofuran excess styrene;0%
In toluene excess styrene;0%
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  • GRUBBS CATALYST 2ND GENERATION

  • Casno:

    246047-72-3

    GRUBBS CATALYST 2ND GENERATION

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0/Gram

    Company Introduction 1. Established in 2005, with two independent business divisions: Fine chemicals division; Pharmaceutical division. 2. Main product: Optical brightener Textile auxiliary Dye stuff Pigments

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    Business Type:Lab/Research institutions

    Tel:+86-571-85134551

    Address:No. 206 Zhen Hua Road, Hangzhou 310030, Zhejiang, China

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  • High quality grubbs catalyst 2nd generation

  • Casno:

    246047-72-3

    High quality grubbs catalyst 2nd generation

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 100.0-100.0/Kilogram

    HangYu Chemical is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. HangYu Chemical consis

    Zibo HangYu Chemical is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals

  •  Zibo Hangyu Import&Export Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-15988566987

    Address:Room1701, Tianxing Building,Licheng district, jinan, Shandong, China

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  • High quality grubbs catalyst 2nd generation

  • Casno:

    246047-72-3

    High quality grubbs catalyst 2nd generation

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0/Kilogram

    BaiFuChem is a Professional chemical raw material supplier in China, our main products include Biochemical , Pharma Intermediate and Organic chemical etc. BaiFuChem have wealth of products,experience , expertise and state-of-the-art

    BaiFuChem is a Professional chemical raw material supplier in China, our main products include Biochemical , Pharma Intermediate and Organic chemical etc. BaiFuChem have wea

  •  Xiamen BaiFuchem Co.,Ltd

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    Business Type:Other

    Tel:+86 592 605 6448

    Address:No.31 Pingshan South Road, HaiCang District, Xiamen, China

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  • GRUBBS CATALYST 2ND GENERATION/High quality/Best price

  • Casno:

    246047-72-3

    GRUBBS CATALYST 2ND GENERATION/High quality/Best price

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-1.0/Gram

    Massive Chemical is certified with ISO9001 and ISO14001 manufacturer for this product. We will offer all documents as requirement for the materials which includes, Certificate of Analysis, Material Safety Data Sheet, and Method of Analysis and

    Shanghai Massive Chemical Technology Co., Ltd. is engaged in development, production and marketing Specialty Chemicals to satisfy the changing needs of the chemical industry. We sp

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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86 21 34943721

    Address:Room 435, 4th floor, Building 9, No. 2568 Gudai Road,Minhang District, Shanghai,

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  • 99%min  Grubbs factory price

  • Casno:

    246047-72-3

    99%min Grubbs factory price

    Min.Order: 1 Gram

    FOB Price:  USD $ 20.0-20.0/Gram

    High purity with HPLC & NMR chart 99% purity with low price in stock specilized in hard-to-find chemicals Below our key intermediates in stock, pls check if you have any interest.

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  •  Shenzhen Tianyuan Pharmaceutical Technology Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-755-23284190

    Address:B302,2 unit, Jin Lian Building, No. 134 Qianjin 2 Road, Taoyuan village, Xixiang Street, Baoan,Shenzhen,China

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Specification

The CAS register number of Grubbs Catalyst 2nd Generation is 246047-72-3. It also can be called as 1,3-Bis(2,4,6-trimethylphenyl)-2-(imidazolidinylidene)(dichlorophenylmethylene)(tricyclohexylphosphine)ruthenium and the IUPAC name about this chemical is benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium; tricyclohexylphosphanium. The molecular formula about this chemical is C46H65Cl2N2PRu and the molecular weight is 848.97.

Physical properties about Grubbs Catalyst 2nd Generation are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 6; (3)Polar Surface Area: 16.29Å2; (4)H-Bond Acceptor: 2; (5)Rotatable Bond Count: 6; (6)Exact Mass: 849.338417; (7)MonoIsotopic Mass: 849.338417; (8)Topological Polar Surface Area: 6.5; (9)Heavy Atom Count: 52; (10)Formal Charge: 1; (11)Complexity: 1090; (12)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c(c(c1)C)N2CCN(C2=[Ru](=Cc3ccccc3)(=P(C4CCCCC4)(C5CCCCC5)C6CCCCC6)(Cl)Cl)c7c(cc(cc7C)C)C)C
(2)InChI: InChI=1/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/rC46H65Cl2N2PRu/c1-34-29-36(3)44(37(4)30-34)49-27-28-50(45-38(5)31-35(2)32-39(45)6)46(49)52(47,48,33-40-19-11-7-12-20-40)51(41-21-13-8-14-22-41,42-23-15-9-16-24-42)43-25-17-10-18-26-43/h7,11-12,19-20,29-33,41-43H,8-10,13-18,21-28H2,1-6H3
(3)InChIKey: FCDPQMAOJARMTG-IPDLWRNEA
(4)Std. 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
(5)Std. InChIKey: FCDPQMAOJARMTG-UHFFFAOYSA-L