tert-Butyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1-carboxylate - ≥97% , CAS No.676607-31-1

CAS: 676607-31-1 Cat. No.: T177153 Molecular Weight: 288.38

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1222469 | tert-Butyl spiro[indole-3,4'-piperidine]-1(2H)-carboxylate, AldrichCPR | FD6063 | UIEGYIFDVIDYHB-UHFFFAOYSA-N | PB16149 | tert-butyl spiro[2H-indole-3,4'-piperidine]-1-carboxylate | FT-0649020 | tert-butyl 1,2-dihydrospiro[indole-3,4'-pip

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL1222469 | tert-Butyl spiro[indole-3, 4'-piperidine]-1(2H)-carboxylate, AldrichCPR | FD6063 | UIEGYIFDVIDYHB-UHFFFAOYSA-N | PB16149 | tert-butyl spiro[2H-indole-3, 4'-piperidine]-1-carboxylate | FT-0649020 | tert-butyl 1, 2-dihydrospiro[indole-3, 4'-pip

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC2(CCNCC2)C3=CC=CC=C31
• IUPAC Name: tert-butyl spiro[2H-indole-3,4'-piperidine]-1-carboxylate
• InChIKey: UIEGYIFDVIDYHB-UHFFFAOYSA-N
• INCHI: 1S/C17H24N2O2/c1-16(2,3)21-15(20)19-12-17(8-10-18-11-9-17)13-6-4-5-7-14(13)19/h4-7,18H,8-12H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC2(CCNCC2)C3=CC=CC=C31
• Molecular Weight: 288.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: Aralkylamines Piperidines Benzenoids Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - Aralkylamine - Piperidine - Benzenoid - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
• 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: 288.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 288.184 Da
• Monoisotopic Mass: 288.184 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 396.000
• 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

References

1. Xiaohan Meng, Ze Lv, Tianzhen Jiang, Yifei Tan, Shaoyang Sun, Jianguo Feng.  (2023)  Preparation and Characterization of a Novel Artemisia Oil Packaging Film and Its Application in Mango Preservation.  Foods,  12  (15): (2969).  [PMID:37569238] [10.3390/foods12152969]

2. Shuo Wang, Liuping Fan, Yang Ni, Jinwei Li.  (2025)  Microencapsulation of high loaded algae oil powders: Spray drying of electrostatic self-assembled emulsion stabilized by SPI and cellulose nanocrystals.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2025.111926]

3. Wei Liang, Xiangzhen Ge, Qian Lin, Li Niu, Wenqing Zhao, Marat Muratkhan, Wenhao Li.  (2023)  Ternary composite degradable plastics based on Alpinia galanga essential oil Pickering emulsion templates: A potential multifunctional active packaging.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38052283] [10.1016/j.ijbiomac.2023.128580]