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tert-Butyl 4-(3-methoxy-3-oxopropyl)-3，5-dimethyl-1H-pyrrole-2-carboxylate - ≥95%, high purity , CAS No.60024-89-7

COA

Grade & Purity:

≥95%

Cas Number: 60024-89-7
Molecular Weight: 281.35
PubChem CID: 291763

In stock

Item Number

T697184

Grouped product items
SKU	Size	Availability	Price	Qty
T697184-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,078.90
T697184-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,797.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Pyrrole carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrole carboxylic acids and derivatives
Alternative Parents	Fatty acid esters Substituted pyrroles Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrole-2-carboxylic acid or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Substituted pyrrole - Fatty acyl - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
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 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
INCHI	InChI=1S/C15H23NO4/c1-9-11(7-8-12(17)19-6)10(2)16-13(9)14(18)20-15(3,4)5/h16H,7-8H2,1-6H3
InChIKey	NTLRHYGHGCUJGW-UHFFFAOYSA-N
Smiles	CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OC(C)(C)C
Isomeric SMILES	CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OC(C)(C)C
PubChem CID	291763
Molecular Weight	281.35

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	281.350 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	281.163 Da
Monoisotopic Mass	281.163 Da
Topological Polar Surface Area	68.400 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	361.000
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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tert-Butyl 4-(3-methoxy-3-oxopropyl)-3，5-dimethyl-1H-pyrrole-2-carboxylate - ≥95%, high purity , CAS No.60024-89-7

Basic Description