(R)-tert-Butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate - ≥97% , CAS No.1235469-36-9

CAS: 1235469-36-9 Cat. No.: R1305013 Molecular Weight: 242.27 PubChem CID: 68452233
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
R1305013-1g
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$108.90
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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 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

Specifications & Purity
≥97%
Storage
Room temperature
Purity
≥97%
Names and Identifiers
Canonical SmilesCC(C)(C)OC(=O)N1CCN2C(C1)COC2=O
IUPAC Nametert-butyl (8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylate
InChIKeyVLZMZZGTQZIUNF-MRVPVSSYSA-N
INCHI1S/C11H18N2O4/c1-11(2,3)17-9(14)12-4-5-13-8(6-12)7-16-10(13)15/h8H,4-7H2,1-3H3/t8-/m1/s1
Isomeric SMILES CC(C)(C)OC(=O)N1CCN2[C@H](C1)COC2=O
PubChem CID 68452233
Molecular Weight 242.27

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Piperazine carboxylic acids and derivatives
Direct ParentPiperazine carboxylic acids
Alternative Parents Oxazolidinones  Carbamate esters  Organic carbonic acids and derivatives  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Piperazine-1-carboxylic acid - Oxazolidinone - Carbamic acid ester - Oxazolidine - Carbonic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
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 Weight242.270 g/mol
XLogP30.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass242.127 Da
Monoisotopic Mass242.127 Da
Topological Polar Surface Area59.100 Ų
Heavy Atom Count17
Formal Charge0
Complexity337.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
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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