Beijing Mesochem Technology

CAS 1171080-45-7

Chemistry, 2 End Use API, 11 Related Intermediates

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Also known as: 1171080-45-7, Benzyl (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid, Benzyl (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate, Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate ethanedioate, Schembl15309424, Ex-a2293b

Molecular Formula

C₂₂H₂₆N₂O₇

Molecular Weight

430.5 g/mol

InChI Key

AMOSSTKBTVKFNW-VOMIJIAVSA-N

1 2D Structure

CAS 1171080-45-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid

2.1.2 InChI

InChI=1S/C20H24N2O3.C2H2O4/c23-20(24-14-16-7-3-1-4-8-16)19-12-11-18(13-21-19)22-25-15-17-9-5-2-6-10-17;3-1(4)2(5)6/h1-10,18-19,21-22H,11-15H2;(H,3,4)(H,5,6)/t18-,19+;/m1./s1

2.1.3 InChI Key

AMOSSTKBTVKFNW-VOMIJIAVSA-N

2.1.4 Canonical SMILES

C1CC(NCC1NOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

2.1.5 Isomeric SMILES

C1C[C@H](NC[C@@H]1NOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1171080-45-7

2. Benzyl (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic Acid

3. Benzyl (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxylate Ethanedioate

4. Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate Ethanedioate

5. Schembl15309424

6. Ex-a2293b

7. Amy19463

8. Cs-m3164

9. Wwb08045

10. Mfcd29472311

11. At10876

12. 2-piperidinecarboxylic Acid, 5-[(phenylmethoxy)amino]-, Phenylmethyl Ester, (2s,5r)-, Ethanedioate (1:1)

13. Ds-19729

14. (2s,5r)-benzyl5-((benzyloxy)amino)piperidine-2-carboxylateoxalate

15. (2s,5r)-benzyl 5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate Ee

16. Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate

2.3 Create Date

2012-12-03

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₆N₂O₇
Molecular Weight	430.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	430.17400117 g/mol
Monoisotopic Mass	430.17400117 g/mol
Topological Polar Surface Area	134 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	464
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	2

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(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octa...

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CAS Number

CAS-1192651-49-2

End Use API

Avibactam

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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