2,2-Dimethylbutyryl Chloride - ≥98% , CAS No.5856-77-9

CAS: 5856-77-9 Cat. No.: D128094 Peso molecular: 134.6 Beilstein Registry Number: 2336 Número EC: 227-478-5

GRADE & PURITY ≥98%

Synonyms

BS-22425 | SCHEMBL388297 | FT-0609270 | AMY25715 | A8288 | EC 227-478-5 | EN300-224794 | D3987 | XKZ78Q3WJ3 | MFCD03093071 | 2,2-Dimethylbutanoyl chloride, AldrichCPR | 2,2-dimethylbutanoyl chloride | 2,2-dimethyl butyryl chloride | AKOS009158285 | 2,2-Di

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Descripción general

2-Dimethylbutanoyl chloride is a reagent that is used in the synthesis of 4α,5-Dihydro Simvastatin, the drug, is sold under the trade name Zocor. A competitive inhibitor of HMG-CoA reductase. A synthetic analog of Lovastatin. Antilipemic.

Specifications

Sinónimos

BS-22425 | SCHEMBL388297 | FT-0609270 | AMY25715 | A8288 | EC 227-478-5 | EN300-224794 | D3987 | XKZ78Q3WJ3 | MFCD03093071 | 2, 2-Dimethylbutanoyl chloride, AldrichCPR | 2, 2-dimethylbutanoyl chloride | 2, 2-dimethyl butyryl chloride | AKOS009158285 | 2, 2-Di

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755426
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755426
• Sonrisas canónicas: CCC(C)(C)C(=O)Cl
• IUPAC Name: 2,2-dimethylbutanoyl chloride
• InChIKey: LDJUYMIFFNTKOI-UHFFFAOYSA-N
• INCHI: 1S/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3
• Isómeros SMILES: CCC(C)(C)C(=O)Cl
• Peso molecular: 134.6
• Beilstein: 2336
• Reaxy-Rn: 1743925
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743925&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

• Solubilidad: Reacts with water. Soluble in chloroform and ethyl acetate.
• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.42
• Punto de inflamación (°F): 84°F
• Punto de inflamación (°C): 29°C(lit.)
• Punto de ebullición (°C): 132 °C
• Peso molecular: 134.600 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.05 Da
• Monoisotopic Mass: 134.05 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.700
• 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