tert-butyl 2-oxa-6-azaspiro[3.3]heptane-6-carboxylate - ≥97% , CAS No.1263285-88-6

CAS: 1263285-88-6 Cat. No.: T173132 Molecular Weight: 199.25 PubChem CID: 46911957

GRADE & PURITY ≥97%

Synonyms

PB33093 | AKOS015900016 | MFCD12545889 | tert-butyl 2-oxa-6-azaspiro[3.3]heptane-6-carboxylate | 1263285-88-6 | N-Boc2-oxa-6-azaspiro[3.3]heptane, 95% | 2-Boc-6-oxa-2-azaspiro[3.3]heptane | tert-Butyl2-oxa-6-azaspiro[3.3]heptane-6-carboxylate | SY008874 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

PB33093 | AKOS015900016 | MFCD12545889 | tert-butyl 2-oxa-6-azaspiro[3.3]heptane-6-carboxylate | 1263285-88-6 | N-Boc2-oxa-6-azaspiro[3.3]heptane, 95% | 2-Boc-6-oxa-2-azaspiro[3.3]heptane | tert-Butyl2-oxa-6-azaspiro[3.3]heptane-6-carboxylate | SY008874 |

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488201400
• Canonical Smiles: CC(C)(C)OC(=O)N1CC2(C1)COC2
• IUPAC Name: tert-butyl 2-oxa-6-azaspiro[3.3]heptane-6-carboxylate
• InChIKey: VBQAPPFRTPAGTF-UHFFFAOYSA-N
• INCHI: 1S/C10H17NO3/c1-9(2,3)14-8(12)11-4-10(5-11)6-13-7-10/h4-7H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC2(C1)COC2
• PubChem CID: 46911957
• Molecular Weight: 199.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azetidines
      • Subclass Azetidinecarboxylic acids or derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azetidines
• Subclass: Azetidinecarboxylic acids or derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidinecarboxylic acids
• Alternative Parents: Carbamate esters Tertiary amines Oxetanes Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azetidinecarboxylic acid - Carbamic acid ester - Oxetane - Tertiary amine - Dialkyl ether - Ether - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 199.250 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.121 Da
• Monoisotopic Mass: 199.121 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 245.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1