[1-benzyl-1-[(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl]-2-phenyl-ethoxy]-diphenyl-phosphane;cyclooctane;iridium(1+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide（CAS号：405235-55-4）

2-苯基-4-[(二苯基)(二苯基磷)甲基]-4,5-二氢-5-甲基氧唑铱

基本信息

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CAS号

405235-55-4

分子式

C77H58BF24IrNO2P-

分子量

1719.27 g/mol

化学分类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品专用化学品紫外线稳定剂

农用化学品农药杀虫剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

112-113°C

比旋光度

-21° (c 0.1, CHCl3)

SMILES

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[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.CC1C(N=C(O1)C2=CC=CC=C2)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)OP(C5=CC=CC=C5)C6=CC=CC=C6.C1C[CH][CH]CC[CH][CH]1.[Ir]

InChI

InChI=1S/C37H34NO2P.C32H12BF24.C8H12.Ir/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-2-4-6-8-7-5-3-1;/h2-26,29,35H,27-28H2,1H3;1-12H;1-2,7-8H,3-6H2;/q;-1;;/t29-,35-;;;/m0.../s1

InChIKey

OYQSQQMXRUOJGB-FWAHSXEBSA-N

LogP

21.098660000000013

拓扑极性表面积

30.82 Å²

氢键供体/受体

0 / 3

复杂度

1850

安全信息

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敏感性

air sensitive, store cold

同义词与引用数据

英文

ThrePHOX
1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]diphenylphosphinite kappaN:kappaP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate, 97%
OYQSQQMXRUOJGB-FWAHSXEBSA-N
(S,S)-[COD]Ir[Ph2PThrePHOX], 97%
((4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-diphenylphosphinite)(1,5-COD)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenylborate
405235-55-4
1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]diphenylphosphinite kappaN:kappaP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
((4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-diphenylphosphinite)(1,5-COD)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenylborate, min. 97% (S,S)-[COD]Ir[Ph2PThrePHOX]
MFCD06658140
((4S,5S)-(+)-O-[1-BENZYL-1-(5-METHYL-2-PHENYL-4,5-DIHYDRO-OXAZOL-4-YL)-2-PHENYLETHYL]-DIPHENYL-PHOSPHINITE)(1,5-COD)IRIDIUM (I) TETRAKIS(3,5-BIS(TRIFLUOROMETHYL)PHENYLBORATE
((4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-diphenylphosphinite)(1,5-COD)iridium(I) tet
((4S,5S)-(+)-O-[1-BENZYL-1-(5-METHYL-2-PHENYL-4,5-DIHYDRO-OXAZOL-4-YL)-2-PHENYLETHYL]-DIPHENYL...
((4S,5S)-(+)-O-[1-BENZYL-1-(5-METHYL-2-PHENYL-4,5-DIHYDROOXAZOL-4-YL)-2-PHENYLETHYL]-DIPHENYLPHOSPHINITE)(1,5-COD)IRIDI...
((4S,5S)-(+)-O-[1-BENZYL-1-(5-METHYL-2-PHENYL-4,5-DIHYDRO-OXAZOL-4-YL)-2-PHENYLETHYL]-DIPHENYL-PHOSPHINITE)(1,5-COD)IRIDIUM (
((4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-diphenylphosphinite)(1,5-COD)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phen
((4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydro-oxazol-4-yl)-2-phenylethyl]-diphenylphosphinite)(1,5-COD)iridium(I)tetrakis-(3,5-bis(trifluoromethyl)phenyl
((4S,5S)-(+)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-diphenylphosphinite)(1,5-COD)i
((4S,5S)-(+)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydro-oxazol-4-yl)-2-phenylethyl]-diphenyl-phosphinite)(1,5-COD)iridium(I) tetrakis(3,5-bis(trifluoromethy
1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-Methyl-2-phenyl-4,5-dihydro-4-oxazolyl)Methyl]diphenylphosphinite κN:κP}iridiuM(I) tetrakis(3,5-bis(trifluoroMethyl)phenyl)
Ubaphox
[((4S,5S)-Ph2-Ubaphox)Ir(COD)]BARF