Shanghai Daishang Chemical

CAS 149198-47-0

Chemistry, 1 End Use API, 12 Related Intermediates

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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

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CAS Number

949023-16-9

End Use API

Docetaxel

About the Company

Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...

Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.

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