tert-Butyl indoline-1-carboxylate - ≥98% , CAS No.143262-10-6

CAS: 143262-10-6 Cat. No.: T341572 Peso molecular: 219.28 Número EC: 623-971-8 PubChem CID: 3663954

GRADE & PURITY ≥98%

Synonyms

tert-Butyl?3-oxopyrrolidine-1-carboxylate | tert-butyl 1-indolinecarboxylate | tert-butyl 2,3-dihydro-1H-indole-1-carboxylate | A838402 | MFCD01318399 | 2,3-dihydro-1H-indole-1-carboxylic acid tert-butyl ester | GWAXLDLPPZPQLO-UHFFFAOYSA-N | 1H-Indole-1-c

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Describtion:

tert -Butyl indoline-1-carboxylate is an N-substituted indoline derivative.

Product Application:

Reactant in preparation of aryl alkyl amines via alkylation reactions catalyzed by Pd

Reactant in preparation of allyl- and arylindolines

Reactant in modular indole synthesis of the highly strained CDEF parent tetracycle of nodulisporic acids A and B

Reactant in asymmetric synthesis of β-amino esters via rhodium prolinate complex-catalyzed α-C-H activation / carbenoid insertion reactions

Reactant in preparation of substituted indolines and tetrahydroquinolines via cycloaddition approach

Specifications

Sinónimos

tert-Butyl?3-oxopyrrolidine-1-carboxylate | tert-butyl 1-indolinecarboxylate | tert-butyl 2, 3-dihydro-1H-indole-1-carboxylate | A838402 | MFCD01318399 | 2, 3-dihydro-1H-indole-1-carboxylic acid tert-butyl ester | GWAXLDLPPZPQLO-UHFFFAOYSA-N | 1H-Indole-1-c

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194500
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC2=CC=CC=C21
• IUPAC Name: tert-butyl 2,3-dihydroindole-1-carboxylate
• InChIKey: GWAXLDLPPZPQLO-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC2=CC=CC=C21
• WGK Alemania: 3
• PubChem CID: 3663954
• Peso molecular: 219.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: Benzenoids Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - Benzenoid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 83-84 °C/0.1 mmHg (lit.)
• Punto de fusión (°C): 46-50 °C (lit.)
• Peso molecular: 219.280 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.126 Da
• Monoisotopic Mass: 219.126 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 270.000
• 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