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tert-butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate - 97%, high purity , CAS No.99027-90-4

Grade & Purity:

≥97%

Cas Number: 99027-90-4
Molecular Weight: 197.23
EC Number: 872-874-9
MDL number: MFCD24465569
PubChem CID: 15332365

In stock

Item Number

T636168

Grouped product items
SKU	Size	Availability	Price
T636168-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
T636168-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
T636168-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90
T636168-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$257.90
T636168-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$513.90

Synonyms	2-OXA-3-AZABICYCLO[2.2.1]HEPT-5-ENE-3-CARBOXYLIC ACID,1,1-DIMETHYLETHYL ESTER \| tert-butyl2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate \| 2-Oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid tert-butyl ester \| SCHEMBL3456734 \| CS-0037296 \| MFCD244655
Specifications & Purity	≥97%
Shipped In	Normal

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolidines
Subclass	Isoxazolidines
Intermediate Tree Nodes	Not available
Direct Parent	Isoxazolidines
Alternative Parents	Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Isoxazolidine - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoxazolidines. These are organic heterocyclic compounds containing an isoxazolidine moiety, with a structure characterized by a five-member saturated aliphatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
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

IUPAC Name	tert-butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
INCHI	InChI=1S/C10H15NO3/c1-10(2,3)13-9(12)11-7-4-5-8(6-7)14-11/h4-5,7-8H,6H2,1-3H3
InChIKey	JKCMHTNELDNMNY-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C2CC(O1)C=C2
Isomeric SMILES	CC(C)(C)OC(=O)N1C2CC(O1)C=C2
Alternate CAS	99027-90-4
PubChem CID	15332365
Molecular Weight	197.23

Molecular Weight	197.230 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	197.105 Da
Monoisotopic Mass	197.105 Da
Topological Polar Surface Area	38.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	280.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

tert-butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate - 97%, high purity , CAS No.99027-90-4

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