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tert-butyl 6-formyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 57786812

In stock

Item Number

T172316

Grouped product items
SKU	Size	Availability	Price	Qty
T172316-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$263.90

Basic Description

Synonyms	1174068-79-1 \| tert-Butyl 6-formyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate \| tert-Butyl 6-formyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate \| tert-butyl 6-formyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate \| MFCD13195336 \| PYRROLO[1,2-A]PY
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Aryl-aldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes
Direct Parent	Aryl-aldehydes
Alternative Parents	Substituted pyrroles Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl-aldehyde - Substituted pyrrole - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
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 6-formyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
INCHI	InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)14-6-7-15-10(8-14)4-5-11(15)9-16/h4-5,9H,6-8H2,1-3H3
InChIKey	LDGNAVIMUAPFKH-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN2C(=CC=C2C=O)C1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	250.290 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	250.132 Da
Monoisotopic Mass	250.132 Da
Topological Polar Surface Area	51.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	338.000
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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