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tert-butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate - 97%, high purity , CAS No.141293-14-3

COA

Grade & Purity:

≥97%

Cas Number: 141293-14-3
Molecular Weight: 183.21
EC Number: 817-601-6
MDL number: MFCD01318910
PubChem CID: 11435337

In stock

Item Number

T635610

Grouped product items
SKU	Size	Availability	Price
T635610-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
T635610-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
T635610-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90
T635610-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$312.90
T635610-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$624.90

Basic Description

Synonyms	DTXSID60465732 \| MFJKZXLOHPVLBS-UHFFFAOYSA-N \| EN300-196187 \| 2-OXO-2,5-DIHYDRO-PYRROLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER \| N-Boc-pyrrol-2(5H)-one \| N-boc-3-pyrroline-2-one \| FT-0694537 \| AKOS006279537 \| SB11599 \| 2-Oxo-2,5-dihydro-1H-pyrrole-1-carboxyli
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolines
    - Subclass Pyrroline carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolines
Subclass	Pyrroline carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrroline carboxylic acids
Alternative Parents	Dicarboximides Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrroline carboxylic acid - Carbamic acid ester - Dicarboximide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrroline carboxylic acids. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups.
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 5-oxo-2H-pyrrole-1-carboxylate
INCHI	InChI=1S/C9H13NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-5H,6H2,1-3H3
InChIKey	MFJKZXLOHPVLBS-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC=CC1=O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC=CC1=O
Alternate CAS	141293-14-3
PubChem CID	11435337
Molecular Weight	183.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	183.200 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	183.09 Da
Monoisotopic Mass	183.09 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	263.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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