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

CAS: 1140321-06-7 Cat. No.: O626963 Molecular Weight: 283.32 PubChem CID: 9838701
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
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 | 8-tert-butyl2-methyl3-oxo-8-azabicyclo[3.2.1]octane-2,8-d
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
O626963-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$239.90
250mg
O626963-250mg
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$383.90
500mg
O626963-500mg
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$639.90
1g
O626963-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$959.90
5g
O626963-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$4,798.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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 | 8-tert-butyl2-methyl3-oxo-8-azabicyclo[3.2.1]octane-2, 8-d
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCC(C)(C)OC(=O)N1C2CCC1C(C(=O)C2)C(=O)OC
IUPAC Name8-O-tert-butyl 2-O-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
InChIKeyKLRZSGVNONCIIT-UHFFFAOYSA-N
INCHI1S/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
Isomeric SMILES CC(C)(C)OC(=O)N1C2CCC1C(C(=O)C2)C(=O)OC
PubChem CID 9838701
Molecular Weight 283.32

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassAlkaloids and derivatives
ClassTropane alkaloids
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTropane 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 FrameworkAliphatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight283.320 g/mol
XLogP31.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass283.142 Da
Monoisotopic Mass283.142 Da
Topological Polar Surface Area72.900 Ų
Heavy Atom Count20
Formal Charge0
Complexity439.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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