α-Hydroxy-γ-butyrolactone - ≥99% , CAS No.19444-84-9

CAS: 19444-84-9 Cat. No.: H113417 Peso molecular: 102.09 Beilstein Registry Number: 80587 Número EC: 692-561-9

GRADE & PURITY ≥99%

Synonyms

3-hydroxydihydrofuran-2-one | Dihydro-3-hydroxy-2(3H)-furanone | s8103 | SY052569 | 3-Hydroxytetrahydrofuran-2-one | FT-0605147 | 2-HYDROXY-.GAMMA.-BUTYROLACTONE, (+/-)- | Ibrutinib (JAN/USAN) | DTXSID00941181 | EC 692-561-9 | 3-Hydroxydihydro-2(3H)-furan

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

α-Hydroxy-γ-butyrolactone is used to initiate the synthesis of enantiomerically pure orthogonally protected δ-azaproline, via Mitsunobu reaction. α-Hydroxy-γ-butyrolactone is a 5-membered cyclic ester. It was obtained via tin-conversion of biomass-derived 1,3-dihydroxyacetone (DHA) and formaldehyde.
Used to initiate the synthesis of series of seco-pseudonucleoside synthons via aminolysis.

Specifications

Sinónimos

3-hydroxydihydrofuran-2-one | Dihydro-3-hydroxy-2(3H)-furanone | s8103 | SY052569 | 3-Hydroxytetrahydrofuran-2-one | FT-0605147 | 2-HYDROXY-.GAMMA.-BUTYROLACTONE, (+/-)- | Ibrutinib (JAN/USAN) | DTXSID00941181 | EC 692-561-9 | 3-Hydroxydihydro-2(3H)-furan

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488190229
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190229
• Sonrisas canónicas: C1COC(=O)C1O
• IUPAC Name: 3-hydroxyoxolan-2-one
• InChIKey: FWIBCWKHNZBDLS-UHFFFAOYSA-N
• INCHI: 1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2
• Isómeros SMILES: C1COC(=O)C1O
• WGK Alemania: 3
• Peso molecular: 102.09
• Beilstein: 80587
• Reaxy-Rn: 80587
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80587&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• 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

• Sensibilidad: Moisture sensitive.Light sensitive
• Índice de refracción: 1.476-1.481
• Punto de inflamación (°F): 113 °C
• Punto de inflamación (°C): 113°C
• Punto de ebullición (°C): 133 °C/10 mmHg
• Peso molecular: 102.090 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 102.032 Da
• Monoisotopic Mass: 102.032 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 88.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1