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8-Boc-3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-3-ene - 97%, high purity , CAS No.185099-68-7

COA

Grade & Purity:

≥97%

Cas Number: 185099-68-7
Molecular Weight: 357.35
PubChem CID: 22648094

In stock

Item Number

B191732

Grouped product items
SKU	Size	Availability	Price	Qty
B191732-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$148.90
B191732-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$442.90

Discover 8-Boc-3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-3-ene by Aladdin Scientific in 97% for only $148.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	185099-68-7 \| 8-Boc-3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-3-ene \| tert-butyl 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate \| MFCD22380006 \| (1R,5S)-tert-butyl 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidine carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine carboxylic acids
Alternative Parents	Trifluoromethanesulfonates Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Carbamate esters Trihalomethanes Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Pyrrolidine carboxylic acid - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carbamic acid ester - Sulfonyl - Trihalomethane - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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 3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
INCHI	InChI=1S/C13H18F3NO5S/c1-12(2,3)21-11(18)17-8-4-5-9(17)7-10(6-8)22-23(19,20)13(14,15)16/h6,8-9H,4-5,7H2,1-3H3
InChIKey	CJDKVEWDWXIBSM-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C2CCC1C=C(C2)OS(=O)(=O)C(F)(F)F
Isomeric SMILES	CC(C)(C)OC(=O)N1C2CCC1C=C(C2)OS(=O)(=O)C(F)(F)F
Molecular Weight	357.35
Reaxy-Rn	9417374
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9417374&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	357.350 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	357.086 Da
Monoisotopic Mass	357.086 Da
Topological Polar Surface Area	81.300 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	615.000
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

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