Skip to the beginning of the images gallery

O3-tert-butyl O6-ethyl rel-(1R,5S,6s)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate - 97%, high purity , CAS No.827599-20-2

COA

Grade & Purity:

≥97%

Cas Number: 827599-20-2
Molecular Weight: 255.31
PubChem CID: 58414693

In stock

Item Number

O634614

Grouped product items
SKU	Size	Availability	Price
O634614-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$261.90
O634614-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$418.90
O634614-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$697.90
O634614-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,257.90

Basic Description

Synonyms	Ethyl endo-3-Boc-3-azabicyclo-[3.1.0]hexane-6-carboxylate \| 827599-20-2 \| 134575-37-4 \| Ethyl endo-3-boc-3-azabicyclo[3.1.0]hexane-6-carboxylate \| (1R,5S,6r)-3-tert-Butyl 6-ethyl 3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate \| 3-O-tert-butyl 6-O-ethyl (1R,5
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Pyrrolidine carboxylic acids Cyclopropanecarboxylic acids and derivatives Carbamate esters Tertiary amines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Cyclopropanecarboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
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	3-O-tert-butyl 6-O-ethyl (1R,5S)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate
INCHI	InChI=1S/C13H21NO4/c1-5-17-11(15)10-8-6-14(7-9(8)10)12(16)18-13(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9+,10?
InChIKey	SESCEXYKMJZFEE-ULKQDVFKSA-N
Smiles	CCOC(=O)C1C2C1CN(C2)C(=O)OC(C)(C)C
Isomeric SMILES	CCOC(=O)C1[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Molecular Weight	255.31
Reaxy-Rn	9914902
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9914902&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	255.310 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	255.147 Da
Monoisotopic Mass	255.147 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	348.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration