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1-tert-butyl 2-ethyl 3-oxopiperidine-1,2-dicarboxylate - 97%, high purity , CAS No.1245782-62-0

COA

Grade & Purity:

≥97%

Cas Number: 1245782-62-0
Molecular Weight: 271.3095
PubChem CID: 56972878

In stock

Item Number

T172898

Grouped product items
SKU	Size	Availability	Price	Qty
T172898-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90

Discover 1-tert-butyl 2-ethyl 3-oxopiperidine-1,2-dicarboxylate by Aladdin Scientific in 97% for only $172.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1245782-62-0 \| 1-tert-Butyl 2-ethyl 3-oxopiperidine-1,2-dicarboxylate \| ETHYL N-BOC-3-OXOPIPERIDINE-2-CARBOXYLATE \| 1-O-tert-butyl 2-O-ethyl 3-oxopiperidine-1,2-dicarboxylate \| MFCD16883080 \| 1-tert-butyl2-ethyl3-oxopiperidine-1,2-dicarboxylate \| 1,2-Piperidinedicarb
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	Piperidinecarboxylic acids Piperidinones 1,3-dicarbonyl compounds Carbamate esters Tertiary amines Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alpha-amino acid ester - Piperidinecarboxylic acid - Piperidinone - Piperidine - 1,3-dicarbonyl compound - Carbamic acid ester - Carboxylic acid ester - Ketone - Tertiary amine - Cyclic ketone - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Aliphatic 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 3-oxopiperidine-1,2-dicarboxylate
INCHI	InChI=1S/C13H21NO5/c1-5-18-11(16)10-9(15)7-6-8-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3
InChIKey	GEBLXHUPYRYFEX-UHFFFAOYSA-N
Smiles	CCOC(=O)C1C(=O)CCCN1C(=O)OC(C)(C)C
Isomeric SMILES	CCOC(=O)C1C(=O)CCCN1C(=O)OC(C)(C)C
PubChem CID	56972878
Molecular Weight	271.3095

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	271.310 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	271.142 Da
Monoisotopic Mass	271.142 Da
Topological Polar Surface Area	72.900 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	372.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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