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O1-tert-butyl O2-ethyl (2S,5R)-5-(benzyloxyamino)piperidine-1,2-dicarboxylate - 97%, high purity , CAS No.1463501-46-3

COA

Grade & Purity:

≥97%

Cas Number: 1463501-46-3
Molecular Weight: 378.46
MDL number: MFCD31382304
PubChem CID: 86700665

In stock

Item Number

O629365

Grouped product items
SKU	Size	Availability	Price
O629365-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90
O629365-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$218.90
O629365-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$436.90

Basic Description

Synonyms	1463501-46-3 \| (2S,5R)-1-tert-butyl 2-ethyl 5-((benzyloxy)amino)piperidine-1,2-dicarboxylate \| (2S,5R)-5-(benzyloxyamino)piperidin-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester \| 1-O-tert-butyl 2-O-ethyl (2S,5R)-5-(phenylmethoxyamino)piperidine-1
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid esters
Alternative Parents	Piperidinecarboxylic acids Benzene and substituted derivatives Carbamate esters Carboxylic acid esters N-organohydroxylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid ester - Piperidinecarboxylic acid - Monocyclic benzene moiety - Piperidine - Benzenoid - Carbamic acid ester - Carboxylic acid ester - N-organohydroxylamine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-O-tert-butyl 2-O-ethyl (2S,5R)-5-(phenylmethoxyamino)piperidine-1,2-dicarboxylate
INCHI	InChI=1S/C20H30N2O5/c1-5-25-18(23)17-12-11-16(13-22(17)19(24)27-20(2,3)4)21-26-14-15-9-7-6-8-10-15/h6-10,16-17,21H,5,11-14H2,1-4H3/t16-,17+/m1/s1
InChIKey	SMKPOQAIVWXDFN-SJORKVTESA-N
Smiles	CCOC(=O)C1CCC(CN1C(=O)OC(C)(C)C)NOCC2=CC=CC=C2
Isomeric SMILES	CCOC(=O)[C@@H]1CC[C@H](CN1C(=O)OC(C)(C)C)NOCC2=CC=CC=C2
PubChem CID	86700665
Molecular Weight	378.46

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	378.500 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	378.215 Da
Monoisotopic Mass	378.215 Da
Topological Polar Surface Area	77.100 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	485.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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