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

CAS: 13169-00-1 Cat. No.: M476801 Fórmula: C₄H₆O Peso molecular: 70.09 Número CE: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

technical grade

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Technical grade

Nomes e identificadores

• Sorrisos canónicos: COC=C=C
• InChIKey: RRWJXAJEGRDMQH-UHFFFAOYSA-N
• INCHI: 1S/C4H6O/c1-3-4-5-2/h4H,1H2,2H3
• SMILES isoméricas: COC=C=C
• WGK Alemanha: 3
• Peso molecular: 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
    • Classe Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): -18.4 °F
• Ponto de inflamação (°C): -28 °C
• Peso molecular: 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