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tert-butyl (2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carboxylate - 97%, high purity , CAS No.223678-66-8

COA

Grade & Purity:

≥97%

Cas Number: 223678-66-8
Molecular Weight: 213.23
MDL number: MFCD19441906
PubChem CID: 57372611

In stock

Item Number

T632385

Grouped product items
SKU	Size	Availability	Price
T632385-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
T632385-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$583.90
T632385-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

Basic Description

Synonyms	MFCD19441906 \| t-Butyl (2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carboxylate \| P19112 \| AKOS015994914 \| SCHEMBL18593027 \| YIA67866 \| (S)-3-Hydroxy-2-methyl-5-oxo-2,5-dihydro-pyrrole-1-carboxylic acid tert-Butyl ester \| (S)-3-Hydroxy-2-methyl-5-oxo-2,5-di
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	Vinylogous acids Dicarboximides Carbamate esters Tertiary amines Enols Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrroline carboxylic acid - Dicarboximide - Carbamic acid ester - Vinylogous acid - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Enol - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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 (2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carboxylate
INCHI	InChI=1S/C10H15NO4/c1-6-7(12)5-8(13)11(6)9(14)15-10(2,3)4/h5-6,12H,1-4H3/t6-/m0/s1
InChIKey	STOXJZVUXFUVOA-LURJTMIESA-N
Smiles	CC1C(=CC(=O)N1C(=O)OC(C)(C)C)O
Isomeric SMILES	C[C@H]1C(=CC(=O)N1C(=O)OC(C)(C)C)O
Alternate CAS	223678-66-8
PubChem CID	57372611
Molecular Weight	213.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.230 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	213.1 Da
Monoisotopic Mass	213.1 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	327.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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