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CAS 149198-47-0
Also known as: 149198-47-0, (3r,4s)-tert-butyl 2-oxo-4-phenyl-3-((triethylsilyl)oxy)azetidine-1-carboxylate, 149107-85-7, Tert-butyl (3r,4s)-2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate, Tert-butyl (3r,4s)-2-oxo-4-phenyl-3-[(triethylsilyl)oxy]azetidine-1-carboxylate, 1-azetidinecarboxylic acid, 2-oxo-4-phenyl-3-[(triethylsilyl)oxy]-, 1,1-dimethylethyl ester, (3r,4s)-rel-
Molecular Formula
C20H31NO4Si
Molecular Weight
377.5  g/mol
InChI Key
LHTDXUKSFSMGCA-DLBZAZTESA-N

1 2D Structure

CAS 149198-47-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl (3R,4S)-2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate
2.1.2 InChI
InChI=1S/C20H31NO4Si/c1-7-26(8-2,9-3)25-17-16(15-13-11-10-12-14-15)21(18(17)22)19(23)24-20(4,5)6/h10-14,16-17H,7-9H2,1-6H3/t16-,17+/m0/s1
2.1.3 InChI Key
LHTDXUKSFSMGCA-DLBZAZTESA-N
2.1.4 Canonical SMILES
CC[Si](CC)(CC)OC1C(N(C1=O)C(=O)OC(C)(C)C)C2=CC=CC=C2
2.1.5 Isomeric SMILES
CC[Si](CC)(CC)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)C2=CC=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 149198-47-0

2. (3r,4s)-tert-butyl 2-oxo-4-phenyl-3-((triethylsilyl)oxy)azetidine-1-carboxylate

3. 149107-85-7

4. Tert-butyl (3r,4s)-2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate

5. Tert-butyl (3r,4s)-2-oxo-4-phenyl-3-[(triethylsilyl)oxy]azetidine-1-carboxylate

6. 1-azetidinecarboxylic Acid, 2-oxo-4-phenyl-3-[(triethylsilyl)oxy]-, 1,1-dimethylethyl Ester, (3r,4s)-rel-

7. Schembl5887148

8. Dtxsid10572682

9. Mfcd08273948

10. Akos015909778

11. Zinc169748365

12. Ac-4263

13. As-31056

14. Cs-0209353

15. 198b470

16. (3r,4s)-1-t-boc-3-triethylsilyloxy-4-phenylazetidin-2-one

17. (3r,4s)-1-t-boc-3-[(triethylsilyl)oxy]-4-phenyl-2-azetidinone

18. (3r, 4s)-1-t-butoxycarbonyl-4-phenyl-3-triethylsilyloxy-2-azetidinone

19. (3r,4s)-1-t-butoxycarbonyl-4-phenyl-3-triethylsilyloxy-2-azetidinone

20. 1-(tert-butoxycarbonyl)-3alpha-(triethylsiloxy)-4alpha-phenylazetidin-2-one

21. Cis-tert-butyl2-oxo-4-phenyl-3-((triethylsilyl)oxy)azetidine-1-carboxylate

22. (3r,4s)-2-oxo-4-phenyl-3-[(triethylsilyl)oxy]azetidine-1-carboxylic Acid Tert-butyl Ester

23. Cis-tert-butyl 2-oxo-4-phenyl-3-((triethylsilyl)oxy)azetidine-1-carboxylate

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 377.5 g/mol
Molecular Formula C20H31NO4Si
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass377.20223500 g/mol
Monoisotopic Mass377.20223500 g/mol
Topological Polar Surface Area55.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content

(4S,5R)-3-tert-butoxycarbony-2-(4-anisyl)-4-phenyl-5-ox...

URL Supplier Web Content
155396-69-3
Docetaxel
Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is de...
Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is dedicated to providing services for pharmaceutical and chemical products, catering to both export and import markets. The company consists of two primary business departments: the Professional Sourcing/Product Team and the Quality Team. Backed by experienced partners, Longshine has evolved into a trustworthy supplier of high-quality products and received ISO9001:2008 certification in 2017.
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