Cas no 65538-78-5 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 2-bromoethyl ester, [2S-(2α,5α,6β)]- (9CI))
![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 2-bromoethyl ester, [2S-(2α,5α,6β)]- (9CI) structure](https://ossimg.kuujia.com/scimg/66000/65538-78-5x500.png)
65538-78-5 structure
Product Name:4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 2-bromoethyl ester, [2S-(2α,5α,6β)]- (9CI)
CAS No:65538-78-5
MF:C18H21BrN2O5S
MW:457.33874297142
CID:6627754
Update Time:2024-01-05
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 2-bromoethyl ester, [2S-(2α,5α,6β)]- (9CI) 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]-, 2-bromoethyl ester, [2S-(2α,5α,6β)]- (9CI)
-
- Inchi： 1S/C18H21BrN2O5S/c1-18(2)14(17(24)25-9-8-19)21-15(23)13(16(21)27-18)20-12(22)10-26-11-6-4-3-5-7-11/h3-7,13-14,16H,8-10H2,1-2H3,(H,20,22)/t13-,14+,16-/m1/s1
- InChI Key： SYCWAKCCLKKYGX-IJEWVQPXSA-N
- SMILES： N12[C@@]([H])([C@H](NC(COC3=CC=CC=C3)=O)C1=O)SC(C)(C)[C@@H]2C(OCCBr)=O
Experimental Properties
- Density: 1.54±0.1 g/cm3(Predicted)
- Boiling Point: 677.4±55.0 °C(Predicted)
- pka: 12.04±0.60(Predicted)
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, 2-bromoethyl ester, [2S-(2α,5α,6β)]- (9CI) Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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