Basic information
- CAS
583844-38-6- Standard SMILES
C1=C\CC/C=C\CC/1.C[C@@H]1OC(c2ccccc2)=N[C@@H]1C(Cc1ccccc1)(Cc1ccccc1)OP(C1CCCCC1)C1CCCCC1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Ir]- InChIKey
LADOFGASZSKWMF-RDSUWHNOSA-N- Molecular formula
- C77H70BF24IrNO2P-
- Average molar mass
- 1,731.3 g/mol
- Monoisotopic mass
- 1,731.44832
Names & identifiers
- Preferred name
- (1Z,5Z)-cycloocta-1,5-diene;dicyclohexyl-[2-[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-yl]oxyphosphane;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
- IUPAC
- (1Z,5Z)-cycloocta-1,5-diene;dicyclohexyl-[2-[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-yl]oxyphosphane;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
- English name
- ((4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-dicyclohexyl-phosphinite)(1,5-cod)iridium (I) tetrakis(3,5-bis(trifluoromethyl)phenylborate
- Molecular formula
- C77H67BF24IrNO2P
- Molecular weight
- 1728.35
Names & synonyms
MFCD06658139583844-38-6(S,S)-[COD]Ir[cy2PThrePHOX][((4S,5S)-Cy2-Ubaphox)Ir(COD)]BARF((4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-dicyclohexylphosphinite)(1,5-COD)iridium(I)[(4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-dicyclohexylphosphinite)(1,5-COD)iridium(I)tetrakis(3,5-bis(trifluoromethy((4S,5S)-(-)-O-[Benzyl-1-(5-Me-2-Ph-4,5-dihydro-oxazol-4-yl)-2-PhEt]-dicyclohexylphosphinite)(1,5-COD)Ir(I)tetrakis-(3,5-bis(trifluoromethyl)phenylborate, min. 97%1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-Methyl-2-phenyl-4,5-dihydro-4-oxazolyl)Methyl]dicyclohexylphosphinite κN:κP}iridiuM(I) tetrakis(3,5-bis(trifluoroMethyl)phenyl)borate1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]dicyclohexylphosphinite κN:κP}iridium(Ⅰ) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate1,5-Cyclooctadiene{[dibenzyl-((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]-dicyclo-hexylphosphinite KN:KP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
Properties
Computed structural properties
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 28
- Rotatable bonds
- 14
- Heavy atoms
- 107
- Formal charge
- -1
- Complexity
- 1,890
Physicochemical properties
- Melting point
- 160 · 160-161°C
- alpha
- -47 ° · -47° (c 0.1, CHCl3)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- form
- Powder
- color
- orange
- Sensitive
- air sensitive, moisture sensitive, store cold
- InChIKey
- BGPHLJWQZLLYML-RDSUWHNOSA-N
- CAS DataBase Reference
- 583844 · 583844-38-6
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- HS Code
- 28439000 · 28439000
- Storage Class
- 11 · 11 - 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.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 28439000
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesCatalyst for enantioselective hydrogenation of alkenes
General Descriptionsold in collaboration with Solvias AG
Suppliers18 total
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [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]
Alfa Chemistry1-516-6625404 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
滇研催化18251603297 15096626657 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
小辣椒试剂021-60702684 18516024827 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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