Skip to the beginning of the images gallery

1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate - 95%, high purity , CAS No.51814-19-8

COA

Grade & Purity:

≥95%

Cas Number: 51814-19-8
Molecular Weight: 291.3
PubChem CID: 15043278
PubChem SID: 504767762

In stock

Item Number

B193709

Grouped product items
SKU	Size	Availability	Price
B193709-250mg	250mg	3	$18.90
B193709-1g	1g	3	$36.90
B193709-5g	5g	3	$106.90
B193709-25g	25g	3	$364.90
B193709-100g	100g	2	$1,150.90

Basic Description

Synonyms	51814-19-8 \| 1-BENZYL 3-ETHYL 4-OXOPYRROLIDINE-1,3-DICARBOXYLATE \| ETHYL N-CBZ-4-OXOPYRROLIDINE-3-CARBOXYLATE \| 1-O-benzyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate \| 4-Oxo-pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester \| MFCD09878816 \| Ethyl 1-N-C
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Pyrrolidine carboxylic acids Pyrrolidine-3-ones 1,3-dicarbonyl compounds Carbamate esters Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidone - 3-pyrrolidone - 1,3-dicarbonyl compound - Pyrrolidine - Carbamic acid ester - Carboxylic acid ester - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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

Pubchem Sid	504767762
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767762
IUPAC Name	1-O-benzyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
INCHI	InChI=1S/C15H17NO5/c1-2-20-14(18)12-8-16(9-13(12)17)15(19)21-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey	FRNZCPLVDNHRIH-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CN(CC1=O)C(=O)OCC2=CC=CC=C2
Isomeric SMILES	CCOC(=O)C1CN(CC1=O)C(=O)OCC2=CC=CC=C2
Molecular Weight	291.3
Reaxy-Rn	433722
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=433722&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
K2118241	Certificate of Analysis	Sep 19, 2024	B193709
K2118250	Certificate of Analysis	Sep 19, 2024	B193709
K2118285	Certificate of Analysis	Sep 19, 2024	B193709
K2118287	Certificate of Analysis	Sep 19, 2024	B193709
K2118289	Certificate of Analysis	Sep 19, 2024	B193709
F2426019	Certificate of Analysis	Oct 15, 2021	B193709

Chemical and Physical Properties

Molecular Weight	291.300 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
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	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

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