2-Methylbutyraldehyde - ≥95%(GC) , CAS No.96-17-3

CAS: 96-17-3 Cat. No.: M158687 Formula: C₅H₁₀O Peso molecolare: 86.13 Beilstein Registry Number: 1633540 Numero EC: 202-485-6

GRADE & PURITY ≥95%(GC)

Synonyms

WLN: VHY2&1 | 2-Formylbutane | 2-Methylbutyraldehyde (natural) | CHEBI:16182 | 2-Methylbutyraldehyde, analytical standard | EINECS 202-485-6 | AKOS009107038 | alpha-2-Methyl-n-butanal | F71422 | UNII-47H597M1YY | 2-METHYLBUTYRALDEHYDE [FHFI] | RS)-2-Methy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Application：

2-Methylbutyraldehyde can be used as a reactant to synthesize:
2-amino-3-cyanopyridine derivatives via multicomponent condensation with various acetophenones and malononitrile in the presence of ammonium acetate.
N,N-Diethyl-2-methyl-1-butanamine by reacting with diethylamine via Rh-catalyzed reductive amination reaction in the presence of molecular hydrogen.
α-(2-Methylbutylidene)benzeneacetonitrile by condensation reaction with benzyl cyanide using tricyclic strong nonionic Lewis bases.

Specifications

Sinonimi

WLN: VHY2&1 | 2-Formylbutane | 2-Methylbutyraldehyde (natural) | CHEBI:16182 | 2-Methylbutyraldehyde, analytical standard | EINECS 202-485-6 | AKOS009107038 | alpha-2-Methyl-n-butanal | F71422 | UNII-47H597M1YY | 2-METHYLBUTYRALDEHYDE [FHFI] | RS)-2-Methy

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

508808436

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808436

Sorrisi canonici

CCC(C)C=O

IUPAC Name

2-methylbutanal

InChIKey

BYGQBDHUGHBGMD-UHFFFAOYSA-N

INCHI

1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3

Isomeri SMILES

CCC(C)C=O

WGK Germania

1

RTECS

ES3400000

Peso molecolare

86.13

Beilstein

1633540

Reaxy-Rn

1633540

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633540&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Short-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Short-chain aldehydes
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as short-chain aldehydes. These are an aldehyde with a chain length containing between 2 and 5 carbon atoms.
• External Descriptors: a small molecule

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (17 mg/ml at 20° C), ether, and alcohol.
• Sensibilità: Heat & Air sensitive
• Indice di rifrazione: n20/D 1.3919 (lit.)
• Punto di infiammabilità (°F): 39.2 °F
• Punto di infiammabilità (°C): 4 °C
• Punto di ebollizione (°C): 94-96°C
• Peso molecolare: 86.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 86.0732 Da
• Monoisotopic Mass: 86.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 41.200
• 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