Skip to the beginning of the images gallery

tert-butyl (3aS,6aS)-4-oxo-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate - 97%, high purity , CAS No.1932432-12-6

COA

Grade & Purity:

≥97%

Cas Number: 1932432-12-6
Molecular Weight: 226.28
EC Number: 890-243-6
PubChem CID: 67376140

In stock

Item Number

T631121

Grouped product items
SKU	Size	Availability	Price
T631121-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$274.90
T631121-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$439.90
T631121-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$733.90
T631121-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,321.90

Basic Description

Synonyms	AT28823 \| SCHEMBL2355843 \| rac-tert-butyl (3aR,6aR)-4-oxo-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate \| BQFMMOCNINXPIC-JGVFFNPUSA-N \| tert-butyl(3aS,6aS)-4-oxohexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate \| 1251003-89-0 \| Pyrrolo[3,4-c]pyrrole-2(1H)-c
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidine carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine carboxylic acids
Alternative Parents	Pyrrolidine-2-ones Carbamate esters Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Pyrrolidine carboxylic acid - Pyrrolidone - 2-pyrrolidone - Carbamic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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	tert-butyl (3aS,6aS)-3-oxo-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
INCHI	InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-7-4-12-9(14)8(7)6-13/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m0/s1
InChIKey	BQFMMOCNINXPIC-JGVFFNPUSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CNC(=O)C2C1
Isomeric SMILES	CC(C)(C)OC(=O)N1C[C@@H]2CNC(=O)[C@@H]2C1
Alternate CAS	1251003-89-0
PubChem CID	67376140
Molecular Weight	226.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	226.270 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	226.132 Da
Monoisotopic Mass	226.132 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	322.000
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