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1-benzyl 2-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate - 97%, high purity , CAS No.117836-13-2

COA

Grade & Purity:

≥97%

Cas Number: 117836-13-2
Molecular Weight: 291.303
PubChem CID: 10913298

In stock

Item Number

B172331

Grouped product items
SKU	Size	Availability	Price	Qty
B172331-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,518.90

Discover 1-benzyl 2-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate by Aladdin Scientific in 97% for only $1,518.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
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	Benzyloxycarbonyls Piperidinecarboxylic acids Piperidinones Methyl esters Carbamate esters Cyclic ketones Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid ester - Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidinone - Monocyclic benzene moiety - Piperidine - Benzenoid - Methyl ester - Carbamic acid ester - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen 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-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate
INCHI	InChI=1S/C15H17NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3/t13-/m0/s1
InChIKey	HFKHJRQXLOFHNO-ZDUSSCGKSA-N
Smiles	COC(=O)C1CCC(=O)CN1C(=O)OCC2=CC=CC=C2
Isomeric SMILES	COC(=O)[C@@H]1CCC(=O)CN1C(=O)OCC2=CC=CC=C2
Molecular Weight	291.303
Reaxy-Rn	9922746
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9922746&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	291.300 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	291.111 Da
Monoisotopic Mass	291.111 Da
Topological Polar Surface Area	72.900 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	403.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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