1226898-27-6 ((R)-4-TERT-BUTYL-2-[(SP)-2-(DIPHENYLPHOSPHINO)FERROCENYL]-2-OXAZOLINE,[(5Z)-5-[(4R)-4-Tert-butyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane;cyclopenta-1,3-diene;iron(2+))

CAS号:
1226898-27-6
中文名称:
(R)-4-TERT-BUTYL-2-[(SP)-2-(DIPHENYLPHOSPHINO)FERROCENYL]-2-OXAZOLINE
英文名称:
[(5Z)-5-[(4R)-4-Tert-butyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane;cyclopenta-1,3-diene;iron(2+)
分子式:
C29H30FeNOP
分子量:
495.373369693756

(R)-4-TERT-BUTYL-2-[(SP)-2-(DIPHENYLPHOSPHINO)FERROCENYL]-2-OXAZOLINE(1226898-27-6)名称与标识符

名称

中文别名:
(R,Rp)-(4,5-二氢-4-叔丁基-2-噁唑)-2-(二苯基膦基)二茂铁;
英文别名:
(R)-4-TERT-BUTYL-2-[(SP)-2-(DIPHENYLPHOSPHINO)FERROCENYL]-2-OXAZOLINE;(2S)-1-[(4R)-4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-2-(diphenylphosphino)ferrocene (acc to CAS);Naud ligand SL-N004-1;Iron(2+) (2Z,4R)-4-tert-butyl-2-[2-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide cyclopenta-2,4-dien-1-ide (1/1/1);[(5Z)-5-[(4R)-4-Tert-butyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane;(R,Rp)-(4,5-Dihydro-4-tert-butyl-2-oxazolyl)-2-(diphenylphosphino)ferrocene;

标识符

MDL:
MFCD19443641
InChIKey:
JTWUNUBQGSFMMO-QKVYNZCESA-N
Inchi:
1S/C24H25NOP.C5H5.Fe/c1-24(2,3)22-17-26-23(25-22)20-15-10-16-21(20)27(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;/h4-16,22H,17H2,1-3H3;1-5H;/q2*-1;+2/b23-20-;;/t22-;;/m0../s1
SMILES:
[Fe+2].P(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=C/C/1=C1\[N-][C@@H](CO\1)C(C)(C)C.[CH-]1C=CC=C1

(R)-4-TERT-BUTYL-2-[(SP)-2-(DIPHENYLPHOSPHINO)FERROCENYL]-2-OXAZOLINE(1226898-27-6)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 重原子数量 : 33
  • 复杂度 : 608
  • 拓扑分子极性表面积 : 10.2

(R)-4-TERT-BUTYL-2-[(SP)-2-(DIPHENYLPHOSPHINO)FERROCENYL]-2-OXAZOLINE(1226898-27-6)安全信息

(R)-4-TERT-BUTYL-2-[(SP)-2-(DIPHENYLPHOSPHINO)FERROCENYL]-2-OXAZOLINE(1226898-27-6)海关数据

海关编码:
29349990

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