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Dichloro(1,3-dimesityl-2-imidazolidinylidene)(5-(dimethylsulfamoyl)-2-isopropoxybenzylidene)ruthenium

HCID 59856477
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
918870-76-5
Standard 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
Molecular formula
C33H43Cl2N3O3RuS
Average molar mass
733.8 g/mol
Monoisotopic mass
733.144559

Names & identifiers

Preferred name
Dichloro(1,3-dimesityl-2-imidazolidinylidene)(5-(dimethylsulfamoyl)-2-isopropoxybenzylidene)ruthenium
IUPAC
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[[5-(dimethylsulfamoyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium
English name
1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene[2-(i-propoxy)-5-(N,N-dimethylaminosulfonyl)phenyl]methyleneruthenium(II)dichloride
Molecular formula
C33H42Cl2N3O3RuS
Molecular weight
733.75

Names & synonyms

918870-76-5Dichloro(1,3-dimesityl-2-imidazolidinylidene)(5-(dimethylsulfamoyl)-2-isopropoxybenzylidene)rutheniumDichloro(1,3-dimesityl-2-imidazolidinylidene)[5-(dimethylsulfamoyl)-2-isopropoxybenzylidene]rutheniumRefChem:586672813-485-6Zhan Catalyst-1B[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[[5-(dimethylsulfamoyl)-2-propan-2-yloxyphenyl]methylidene]rutheniumDichloro(1,3-dimesityl-2-imidazolidinylidene)[5-(dimethylsulfamoy l)-2-isopropoxybenzylidene]rutheniumMFCD08459353Zhan Catalyst 1BDichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene][[5-[(dimethylamino)sulfonyl]-2-(1-methylethoxy-O)phenyl]methylene-C]ruthenium(II)Zhan Catalyst-1B, 96%
Show more names
Zhan catalyst1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene[2-(iso-propoxy)-5-(N,N-dimethylaminosulfonyl)phenyl]methylene ruthenium(II) dichlorideDichloride Zhan catalyst 1B

Properties

Computed structural properties

Topological polar surface area
61.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
43
Formal charge
0
Complexity
1,130

Physicochemical properties

storage temp.
2 · 2-8°C, stored under nitrogen
form
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 · 12161600
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26
WGK Germany
3 · 3
Storage Class
13 · 13 - Non Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (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 information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26
Storage Class
13 - Non Combustible Solids
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesZhan 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.

Suppliers46 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Aladdin Scientific[email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Weifang Wehibest Supply Chain Co.,Ltd+undefined13583620690 · [email protected]
上海皋翔化工有限公司021-57816257 18930243658 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
TB-1840
CATALYST -1B
(1,3-Dimesitylimidazolidin-2-ylidene)[5-(N,N-dimethylsulfamoyl)-2-isopropoxybenzylidene]ruthenium(VI) Chloride
1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene[2-(i-propoxy)-5-(N,N-dimethylaminosulfonyl)phenyl]methyleneruthenium
SCHEMBL482809Zhan Catalyst II, (resin supported)1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene[2-(i-propoxy)-5-(N,N-dimethylaminosulfonyl)phenyl]methyleneruthenium(II)dichlorideD78537

Database identifiers

CAS
918870-76-5
PubChem CID
59856477
EC Number
813-485-6
Alfa Chemistry1-516-6625404 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
成都叮当时代医药科技有限公司028-86040038 · [email protected]
Hebei Endun Biological Technology Co. LTD+86-8615932657220 +86-15932657220 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
河北冠朗生物科技有限公司19930505208 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
青岛真光功能材料科技有限公司+86-13573844393 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京一览生物科技有限公司13851808754 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河北庄莱国际贸易有限公司19565659705 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
扬州摩笛尔电子材料有限公司13918702962 13761402923 · [email protected]