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Oxazole,2-[(1S)-7'-[bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro- | 1040274-18-7

Oxazole,2-[(1S)-7'-[bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-结构式图片|1040274-18-7结构式图片
Oxazole,2-[(1S)-7'-[bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-
1040274-18-7
C48H60NOP
697.9699
52921691
名称和标识符
MDL MFCD21362521
InChIKey FMGYAZLRTVWJGN-DYVQZXGMSA-N
Inchi InChI=1S/C48H60NOP/c1-44(2,3)33-25-34(45(4,5)6)28-37(27-33)51(38-29-35(46(7,8)9)26-36(30-38)47(10,11)12)40-18-14-16-32-20-22-48(42(32)40)21-19-31-15-13-17-39(41(31)48)43-49-23-24-50-43/h13-18,25-30H,19-24H2,1-12H3/t48-/m0/s1
SMILES CC(C)(C)C=1C=C(P(C=2C3=C(C=CC2)CC[C@@]43CCC=5C=CC=C(C54)C6=NCCO6)C=7C=C(C(C)(C)C)C=C(C(C)(C)C)C7)C=C(C(C)(C)C)C1
别名信息
- 中文别名 -
  • 2-[(1S)-7'-[双[3,5-二叔丁基苯基]膦]-2,2',3,3'-四氢-1,1'-螺二[1H-茚]-7-基]-4,5-二氢恶唑
- 英文别名 -
  • Oxazole,2-[(1S)-7'-[bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-
  • bis(3,5-ditert-butylphenyl)-[(3S)-4-(4,5-dihydro-1,3-oxazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane
  • Oxazole,2-[(1S)-7'-[bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dih
  • (S)-DTB-SIPHOX
  • 2-[(1S)-7'-[BIS[3,5-BIS(1,1-DIMETHYLETHYL)PHENYL]PHOSPHINO]-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBI[1H-INDEN]-7-YL]-4,5-DIHYDROOXAZOLE
  • (S)-7-(4,5-Dihydrooxazol-2-yl)-7′-di(3,5-ditertbutylphenyl)phosphino-1,1′- spirobiinane
  • (Sa,R)-7-[4-(Benzyl)oxazol-2-yl]-7′-di(3,5-ditertbutylphenyl)phosphinyl-1,1′-spirobiindane
  • (S)-7-(4,5-Dihyd\nrooxazol-2-yl)-7\n′-di(3,5-ditertbut\nylphenyl)phosph\nino-1,1′-spirobii\nnane
  • 2-[(1S)-7'-[Bis[3,5-bis(tert-butyl)phenyl]phosphino]-2,2',3, 3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5- dihydrooxazole
  • 2-[(1S)-7'-[Bis[3,5-bis(tert-butyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydrooxazole,99%e.e.
  • A857932
  • 1040274-18-7
  • DTXSID20680626
  • AKOS015950872
  • J10021
  • (S)-7-(4,5-Dihydrooxazol-2-yl)-7'-di(3,5-ditertbutylphenyl)phosphino-1,1'-spirobiinane 97+%hplc
  • (R)-2-(7'-(Bis(3,5-di-tert-butylphenyl)phosphino)-2,2',3,3'-tetrahydro-1,1'-spirobi[inden]-7-yl)-4,5-dihydrooxazole
  • 2-{(1S)-7'-[Bis(3,5-di-tert-butylphenyl)phosphanyl]-2,2',3,3'-tetrahydro-1,1'-spirobi[inden]-7-yl}-4,5-dihydro-1,3-oxazole
  • 2-[(1S)-7'-[Bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydrooxazole
  • (S)-2-(7'-(Bis(3,5-di-tert-butylphenyl)phosphino)-2,2',3,3'-tetrahydro-1,1'-spirobi[inden]-7-yl)-4,5-dihydrooxazole
物化性质
实验特性
LogP 10.02570
PSA 21.59
计算特性
精确分子量 697.4416
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 8
同位素质量 697.441
重原子数量 51
复杂度 1150
同位素原子数量 0
确定原子立构中心数量 1
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 13.7
拓扑分子极性表面积 21.6A^2
专业数据库参考
PubChemId 52921691
Oxazole,2-[(1S)-7'-[bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydro-推荐生产厂家
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