Cas no 97227-10-6 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 4-(dimethylamino)phenyl ester, [2S-(2α,5α,6β)]-)
![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 4-(dimethylamino)phenyl ester, [2S-(2α,5α,6β)]- structure](https://ossimg.kuujia.com/scimg/97500/97227-10-6x500.png)
97227-10-6 structure
Product Name:4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 4-(dimethylamino)phenyl ester, [2S-(2α,5α,6β)]-
CAS No:97227-10-6
MF:C24H27N3O5S
MW:469.553284883499
CID:6627756
Update Time:2024-01-15
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 4-(dimethylamino)phenyl ester, [2S-(2α,5α,6β)]- Chemical and Physical Properties
Names and Identifiers
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- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 4-(dimethylamino)phenyl ester, [2S-(2α,5α,6β)]-
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- Inchi： 1S/C24H27N3O5S/c1-24(2)20(23(30)32-17-12-10-15(11-13-17)26(3)4)27-21(29)19(22(27)33-24)25-18(28)14-31-16-8-6-5-7-9-16/h5-13,19-20,22H,14H2,1-4H3,(H,25,28)/t19-,20+,22-/m1/s1
- InChI Key： VXKRBUFBSFRTOJ-RZUBCFFCSA-N
- SMILES： N12[C@@]([H])([C@H](NC(COC3=CC=CC=C3)=O)C1=O)SC(C)(C)[C@@H]2C(OC1=CC=C(N(C)C)C=C1)=O
Experimental Properties
- Density: 1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Boiling Point: 723.4±60.0 °C(Predicted)
- pka: 12.06±0.60(Predicted)
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 4-(dimethylamino)phenyl ester, [2S-(2α,5α,6β)]- Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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