CID 17756005（CAS号：583844-38-6）

((4S,5S)-(-)-O-[1-苄基-1-(5-甲基-2-苯基-4,5-二氢恶唑-4-基)-2-苯基乙基]-二环己基磷)(1,5-COD)铱 (I) 四三(3,5-双(三氟甲基)苯硼酸

基本信息

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CAS号

583844-38-6

分子式

C77H70BF24IrNO2P

分子量

1731.37 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

物理状态

orange

熔点

160-161°C

比旋光度

-47° (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(C5CCCCC5)C6CCCCC6.C1C[CH][CH]CC[CH][CH]1.[Ir]

InChI

InChI=1S/C37H46NO2P.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;/h2-4,7-12,17-22,29,33-35H,5-6,13-16,23-28H2,1H3;1-12H;1-2,7-8H,3-6H2;/q;-1;;/t29-,35-;;;/m0.../s1

InChIKey

LADOFGASZSKWMF-FWAHSXEBSA-N

LogP

23.11306000000004

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, moisture sensitive, store cold

同义词与引用数据

英文

((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
((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(trifluoromethyl)phenylborate,min.97%
((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(trifluoromethyl)phenylborate, min. 97%
[(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-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-dicyclohexylphosphinite)(1,5-COD)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenylborate, min. 97% (S,S)-[COD]Ir[c
((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)borate
1,5-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
((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
[((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)I...
((4s,5s)-(-)-o-[1-benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-dicyclohexyl-phosphinite)(1,5-cod)iridiu
((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]-dicyclohexylphosphin
((4S,5S)-(-)-O-[1-BENZYL-1-(5-METHYL-2-PHENYL-4,5-DIHYDROOXAZOL-4-YL)-2-PHENYLETHYL]-DICYCLOHEXYL-PHOSPHINITE)(1,5-COD
((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.
Ubaphox
((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(trifluoromethyl)phenylborate
SC10655
((4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-dicyclohexylphosphinite)(1,5-COD)i
CID 17756005
((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(trifluoromethyl)phenylborate, min. 97% (S,S)-[COD]Ir[cy2PThrePHOX]
(S,S)-[COD]Ir[cy2PThrePHOX], 97%
MFCD06658139
1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]dicyclohexylphosphinite kappaN:kappaP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate, 97%
583844-38-6

中文

((4S,5S)-(-)-O-[1-苄基-1-(5-甲基-2-苯基-4,5-二氢恶唑-4-基)-2-苯基乙基]-二环己基磷)(1,5-COD)铱 (I) 四三(3,5-双(三氟甲基)苯硼酸
((4S,5S)-(-)-O-[1-苄基-1-(5-甲基-2-苯基-4,5-二氢噁唑-4-基)-2-苯基乙基]-二环己基磷)(1,5-COD)铱 (I) 四三(3,5-双(三氟甲基)苯硼酸
1,51,5-环辛二烯{[二苄基((4S,5S)-5-甲基-2-苯基-4,5-二氢-4-噁唑基)甲基]二环己基亚膦酸根KN:KP}铱(Ⅰ)四(3,5-双(三氟甲基)苯基)硼酸盐
((4S,5S)-(-)-O-[1-苄基-1-(5-甲基-2-苯基-4,5-二氢恶唑-4-基)-2-