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O8-tert-butyl O2-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate - 97%, high purity , CAS No.1140321-06-7

COA

Grade & Purity:

≥97%

Cas Number: 1140321-06-7
Molecular Weight: 283.32
PubChem CID: 9838701

In stock

Item Number

O626963

Grouped product items
SKU	Size	Availability	Price
O626963-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$181.90
O626963-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
O626963-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
O626963-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$726.90
O626963-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,636.90

Basic Description

Synonyms	1140321-06-7 \| 8-tert-butyl 2-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate \| 8-O-tert-butyl 2-O-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate \| SCHEMBL797568 \| MFCD24543350 \| CS-0145935 \| 8-tert-butyl2-methyl3-oxo-8-azabicyclo[3.2.1
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Alkaloids and derivatives
  - Class Tropane alkaloids

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Class	Tropane alkaloids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tropane alkaloids
Alternative Parents	Piperidinecarboxylic acids Pyrrolidine carboxylic acids Piperidinones 1,3-dicarbonyl compounds Methyl esters Carbamate esters Cyclic ketones Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Tropane alkaloid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidinone - Piperidine - 1,3-dicarbonyl compound - Pyrrolidine - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
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	8-O-tert-butyl 2-O-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
INCHI	InChI=1S/C14H21NO5/c1-14(2,3)20-13(18)15-8-5-6-9(15)11(10(16)7-8)12(17)19-4/h8-9,11H,5-7H2,1-4H3
InChIKey	KLRZSGVNONCIIT-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C2CCC1C(C(=O)C2)C(=O)OC
Isomeric SMILES	CC(C)(C)OC(=O)N1C2CCC1C(C(=O)C2)C(=O)OC
PubChem CID	9838701
Molecular Weight	283.32

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	283.320 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	283.142 Da
Monoisotopic Mass	283.142 Da
Topological Polar Surface Area	72.900 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	439.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
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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