(S) - ( - )-7-〔4(S) - (苄基)恶唑-2 - 基]-7-二(3,5 - 二 - 叔丁基苯基)膦基-2,2,3,3-四氢-1,1?螺二氢茚 | 1040274-10-9
(S) - ( - )-7-〔4(S) - (苄基)恶唑-2 - 基]-7-二(3,5 - 二 - 叔丁基苯基)膦基-2,2,3,3-四氢-1,1?螺二氢茚
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-4-(phenylmethyl)-,(4S)-
1040274-10-9
C55H66NOP
788.09244
名称和标识符
MDL |
MFCD17018765 |
InChIKey |
UAWQRALEHCBVCD-QVROPDMNSA-N |
Inchi |
InChI=1S/C55H66NOP/c1-51(2,3)39-29-40(52(4,5)6)32-44(31-39)58(45-33-41(53(7,8)9)30-42(34-45)54(10,11)12)47-23-17-21-38-25-27-55(49(38)47)26-24-37-20-16-22-46(48(37)55)50-56-43(35-57-50)28-36-18-14-13-15-19-36/h13-23,29-34,43H,24-28,35H2,1-12H3/t43-,55-/m0/s1 |
SMILES |
CC(C)(C)C1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C3=CC=CC4=C3[C@@]5(CCC6=C5C(=CC=C6)C7=N[C@@H](CC8=CC=CC=C8)CO7)CC4)C(C)(C)C |
别名信息
- 中文别名 -
- (S) - ( - )-7''-〔4(S) - (苄基)恶唑-2 - 基]-7-二(3,5 - 二 - 叔丁基苯基)膦基-2,2'',3,3''-四氢-1,1?螺二氢茚
- (S) - ( - )-7'-〔4(S) - (苄基)恶唑-2 - 基]-7-二(3,5 - 二 - 叔丁基苯基)膦基-2,2',3,3'-四氢-1,1?螺二氢茚
- (S) - ( - )-7-〔4(S) - (苄基)恶唑-2 - 基]-7-二(3,5 - 二 - 叔丁基苯基)膦基-2,2,3,3-四氢-1,1?螺二氢茚
- (4S)-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-4-苄基恶唑
- (S) - ( - )-7'-〔4(S) - (苄基)恶唑-2 - 基]-7-二(3,5 - 二 - 叔丁基苯基)膦基-2,2',3,3'-四氢-1,1螺二氢茚
- 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-4-(phenylmethyl)-,(4S)-
- [(3S)-4'-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(3,5-ditert-butylphenyl)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,S)-DTB-BN-SIPHOX
- (4S)-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-DIHYDRO-4-(PHENYLMETHYL)OXAZOLE
- (Sa,S)-DTB-Bn-SIPHOX
- (S,S)-7-[4-(Benzyl)oxazol-2-yl]-7′-di(3,5-ditertbutylphenyl)phosphinyl-1,1′- spirobiindane
- (Sa,S)-7-[4-(Benzyl)oxazol-2-yl]-7′-di(3,5-ditertbutylphenyl)phosphinyl-1,1′-spirobiindane
- (S)-(-)-7[4(S)-(Benzyl)oxazol-2-yl]-7-di(3,5-di-t-butylphenyl)phosphino-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Sa,S)-DTB-Bn-SIPHOX
- 1040274-10-9
- (S)-(-)-7'- [4(S)-(BenZyl)oxaZol-2-yl]-7-di(3,5-di-t-BuPh)phosphino-2,2',3,3'-tetrahydro-1,1' spirobiindane
- AKOS015950871
- J10017
- [(3S)-4-[(4S)-4-Benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-bis(3,5-ditert-butylphenyl)phosphane
- MFCD17018765
- DTXSID20648382
- (4S)-4-BENZYL-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
- (4S)-4-Benzyl-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
- AS-75215
物化性质
实验特性
LogP |
11.63700 |
PSA |
35.18000 |
熔点 |
159-161°C |
敏感性 |
moisture sensitive |
比旋光度 |
-185.6° (c 0.5, CH2Cl2) |
计算特性
精确分子量 |
787.488 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
10 |
同位素质量 |
787.488 |
重原子数量 |
58 |
复杂度 |
1320 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
2 |
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) |
15.7 |
拓扑分子极性表面积 |
21.6A^2 |
(S) - ( - )-7-〔4(S) - (苄基)恶唑-2 - 基]-7-二(3,5 - 二 - 叔丁基苯基)膦基-2,2,3,3-四氢-1,1?螺二氢茚推荐生产厂家