5-tert-Butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate - ≥97% , CAS No.1053656-51-1

CAS: 1053656-51-1 Cat. No.: T189514 Peso molecular: 312.39 PubChem CID: 45489909

GRADE & PURITY ≥97%

Synonyms

1053656-51-1 | 5-TERT-BUTYL 2-ETHYL 6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-2,5(4H)-DICARBOXYLATE | 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate | Ethyl 5-Boc-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate

Shipped In

Normal

Specifications

Sinónimos

1053656-51-1 | 5-TERT-BUTYL 2-ETHYL 6, 7-DIHYDROTHIAZOLO[5, 4-C]PYRIDINE-2, 5(4H)-DICARBOXYLATE | 5-O-tert-butyl 2-O-ethyl 6, 7-dihydro-4H-[1, 3]thiazolo[5, 4-c]pyridine-2, 5-dicarboxylate | Ethyl 5-Boc-4, 5, 6, 7-tetrahydrothiazolo[5, 4-c]pyridine-2-carboxylate

Especificaciones y pureza

≥97%

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=NC2=C(S1)CN(CC2)C(=O)OC(C)(C)C
• IUPAC Name: 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
• InChIKey: ZCUHIQJCEMMTLK-UHFFFAOYSA-N
• INCHI: 1S/C14H20N2O4S/c1-5-19-12(17)11-15-9-6-7-16(8-10(9)21-11)13(18)20-14(2,3)4/h5-8H2,1-4H3
• Isómeros SMILES: CCOC(=O)C1=NC2=C(S1)CN(CC2)C(=O)OC(C)(C)C
• PubChem CID: 45489909
• Peso molecular: 312.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolecarboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Carbamate esters Tertiary amines Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - Carbamic acid ester - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
• 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: 312.390 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 312.114 Da
• Monoisotopic Mass: 312.114 Da
• Topological Polar Surface Area: 97.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 410.000
• 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