Methoxyallene - technical grade , CAS No.13169-00-1

CAS: 13169-00-1 Cat. No.: M476801 Summenformel: C₄H₆O Molekulargewicht: 70.09 EG-Nummer: 626-628-0

GRADE & PURITY Technical grade

Synonyms

CH2=C=CHOCH3 | METHOXYALLENE; 95per centDISCONTINUED 05/24/01 | 1,2-Propadiene, 1-methoxy- | Methoxyallene, technical grade | InChI=1/C4H6O/c1-3-4-5-2/h4H,1H2,2H | NSC 363923 | J-650048 | 1-methoxy-1,2-propanediene | Methoxyallene | 1,2-Propadiene, 3-met

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Description

Reactant involved in:Multicomponent reactions with nitriles and carboxylic acids followed by cyclocondensation for synthesis of enantiopure pyridinesIntermolecular hydroaminationOne-pot synthesis of alkoxy and (alkylsulfanyl)-substituted pyrroles and dihydropyridinesIntermolecular [4+2] cycloaddition with dienesAllenyl cyclization and subsequent transformation into dicarbonyl, cyclopentenones, and butenolide compoundsInsertion reactions of C-C pi-bonds into alkylidenesilacyclopropanes

Specifications

Synonyme

CH2=C=CHOCH3 | METHOXYALLENE; 95per centDISCONTINUED 05/24/01 | 1,2-Propadiene, 1-methoxy- | Methoxyallene, technical grade | InChI=1/C4H6O/c1-3-4-5-2/h4H,1H2,2H | NSC 363923 | J-650048 | 1-methoxy-1,2-propanediene | Methoxyallene | 1,2-Propadiene, 3-met

Spezifikationen & Reinheit

technical grade

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Note

Technische Qualität

Namen und Kennungen

• Kanonisches Lächeln: COC=C=C
• InChIKey: RRWJXAJEGRDMQH-UHFFFAOYSA-N
• INCHI: 1S/C4H6O/c1-3-4-5-2/h4H,1H2,2H3
• Isomere SMILES: COC=C=C
• WGK Deutschland: 3
• Molekulargewicht: 70.09
• Reaxy-Rn: 1814880
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1814880&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organooxygen compounds
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): -18.4 °F
• Flammpunkt (°C): -28 °C
• Molekulargewicht: 70.090 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 70.0419 Da
• Monoisotopic Mass: 70.0419 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 50.700
• 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