CAS 149198-47-0

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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 Formula	C₂₀H₃₁NO₄Si
Molecular Weight	377.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	377.20223500 g/mol
Monoisotopic Mass	377.20223500 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	498
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1