O5-tert-butyl O2-ethyl 6,7-dihydro-4H-furo[3,2-c]pyridine-2,5-dicarboxylate - ≥97% , CAS No.1060814-36-9

CAS: 1060814-36-9 Cat. No.: O626714 Peso molecular: 295.33 PubChem CID: 68287472

GRADE & PURITY ≥97%

Synonyms

DTXSID701131803 | Y11335 | SCHEMBL12486360 | 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-furo[3,2-c]pyridine-2,5-dicarboxylate | 5-TERT-BUTYL2-ETHYL6,7-DIHYDROFURO[3,2-C]PYRIDINE-2,5(4H)-DICARBOXYLATE | 5-TERT-BUTYL 2-ETHYL 6,7-DIHYDROFURO[3,2-C]PYRIDINE-2,5(

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID701131803 | Y11335 | SCHEMBL12486360 | 5-O-tert-butyl 2-O-ethyl 6, 7-dihydro-4H-furo[3, 2-c]pyridine-2, 5-dicarboxylate | 5-TERT-BUTYL2-ETHYL6, 7-DIHYDROFURO[3, 2-C]PYRIDINE-2, 5(4H)-DICARBOXYLATE | 5-TERT-BUTYL 2-ETHYL 6, 7-DIHYDROFURO[3, 2-C]PYRIDINE-2, 5(

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=CC2=C(O1)CCN(C2)C(=O)OC(C)(C)C
• IUPAC Name: 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-furo[3,2-c]pyridine-2,5-dicarboxylate
• InChIKey: DRYDKSYSWSEKSG-UHFFFAOYSA-N
• INCHI: 1S/C15H21NO5/c1-5-19-13(17)12-8-10-9-16(7-6-11(10)20-12)14(18)21-15(2,3)4/h8H,5-7,9H2,1-4H3
• Isómeros SMILES: CCOC(=O)C1=CC2=C(O1)CCN(C2)C(=O)OC(C)(C)C
• CAS alternativo: 1060814-36-9
• PubChem CID: 68287472
• Peso molecular: 295.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acid esters
• Alternative Parents: Fatty acid esters Heteroaromatic compounds Enoate esters Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furoic acid ester - Fatty acid ester - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid ester - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
• 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

• Peso molecular: 295.330 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 295.142 Da
• Monoisotopic Mass: 295.142 Da
• Topological Polar Surface Area: 69.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 403.000
• 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