Levoglucosenone - ≥96%(GC) , CAS No.37112-31-5

CAS: 37112-31-5 Cat. No.: L130870 Summenformel: C₆H₆O₃ Molekulargewicht: 126.11 Beilstein Registry Number: 19(5)4,118 EG-Nummer: 640-811-2

GRADE & PURITY ≥96%(GC)

Synonyms

1,6-Anhydro-3,4-dideoxyhex-3-enopyran-2-ulose | BRN 4859778 | BCP07825 | CHEBI:30999 | 1,6-ANHYDRO-3,4-DIDEOXY-.BETA.-D-GLYCERO-HEX-3-ENOPYRANOS-2-ULOSE | HITOXZPZGPXYHY-UJURSFKZSA-N | W-202534 | 1,6-anhydro-3,4-dideoxy-beta-D-glycero-hex-3-enopyranos-2-u

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

The a,b-unsaturated bicyclic ketone Levoglucosenone is a cellulose derived pyrolysis product. With respect to reactivity, the need for protecting groups is eliminated by the presence of the anhydro bridge at the

Specifications

Synonyme

1,6-Anhydro-3,4-dideoxyhex-3-enopyran-2-ulose | BRN 4859778 | BCP07825 | CHEBI:30999 | 1,6-ANHYDRO-3,4-DIDEOXY-.BETA.-D-GLYCERO-HEX-3-ENOPYRANOS-2-ULOSE | HITOXZPZGPXYHY-UJURSFKZSA-N | W-202534 | 1,6-anhydro-3,4-dideoxy-beta-D-glycero-hex-3-enopyranos-2-u

Spezifikationen & Reinheit

≥96%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%(GC)

Namen und Kennungen

Pubchem Sid

504759927

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759927

Kanonisches Lächeln

C1C2C=CC(=O)C(O1)O2

IUPAC Name

(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one

InChIKey

HITOXZPZGPXYHY-UJURSFKZSA-N

INCHI

1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1

Isomere SMILES

C1[C@@H]2C=CC(=O)[C@H](O1)O2

RTECS

JG7020000

Molekulargewicht

126.11

Beilstein

19(5)4,118

Reaxy-Rn

4859778

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4859778&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrans
      • Subclass Pyranones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrans
• Subclass: Pyranones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydropyranones
• Alternative Parents: 1,3-dioxolanes Ketones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dihydropyranone - Meta-dioxolane - Ketone - Oxacycle - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dihydropyranones. These are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.
• External Descriptors: anhydrohexose - deoxyketohexose

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Brechungsindex: 1.51
• Spezifische Drehung [α]: -566° (C=1,CHCl3)
• Flammpunkt (°C): 98 °C
• Siedepunkt (°C): 113 °C/3 mmHg
• Molekulargewicht: 126.110 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.032 Da
• Monoisotopic Mass: 126.032 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 173.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.