HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dichloro(1,3-dimesityl-2-imidazolidinylidene)(5-(dimethylsulfamoyl)-2-isopropoxybenzylidene)ruthenium
ZHAN CATALYST-1B · Zhan catalyst · 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene[2-(iso-propoxy)-5-(N,N-dimethylaminosulfonyl)phenyl]methylene ruthenium(II) dichloride · Dichloride Zhan catalyst 1B · TB-1840 · CATALYST -1B · Dichloro(1,3-dimesityl-2-imidazolidinylidene)[5-(dimethylsulfamoyl)-2-isopropoxybenzylidene]ruthenium · (1,3-Dimesitylimidazolidin-2-ylidene)[5-(N,N-dimethylsulfamoyl)-2-isopropoxybenzylidene]ruthenium(VI) Chloride
Identifiers & Physical Properties
| CAS No. | 918870-76-5 |
|---|---|
| Molecular formula | C33H43Cl2N3O3RuS |
| Average molar mass | 733.8 g/mol |
| Monoisotopic mass | 733.144559 g/mol |
| SMILES | Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)[C]2=[Ru]([Cl])([Cl])=[CH]c2cc(S(=O)(=O)N(C)C)ccc2OC(C)C)c(C)c1 |
| InChIKey | OXLURKCRXVAJQS-UHFFFAOYSA-L |
| PubChem CID | 59856477 |
| EC No. | 813-485-6 |
Chemical & Physical Properties
| Topological polar surface area | 61.5 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 43 |
| Formal charge | 0 |
| Complexity | 1,130 |
| Storage conditions | 2-8°C, stored under nitrogen |
| Physical state | solid |
| Color | green |
| InChIKey | JIZPWEVWTYCVNK-UHFFFAOYSA-L |
| SMILES | [Cl-][Ru+6]1(=[C-2]C2=CC(S(=O)(=O)N(C)C)=CC=C2O1C(C)C)(=[C-2]1N(C2C(=CC(C)=CC=2C)C)CCN1C1C(=CC(C)=CC=1C)C)[Cl-] |
| UNSPSC Code | 12161600 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26 |
| Water hazard class (WGK) | 3 |
| Storage class | 13 - Non Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Water hazard class (WGK) | 3 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26 |
| Storage class | 13 - Non Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
Zhan Catalyst-1B (Hoveyda-Grubbs type catalyst) can be used:In the preparation of hybrid olefin metathesis catalysts, with increased catalytic activity via immobilization on molecular seives. supportsAs a catalyst in the synthesis of divergent dendrimerIn ring-closure metathesis (RCM) reaction.