Diethyltrans-cyclopropane-1,2-dicarboxylate - ≥97% , CAS No.3999-55-1

CAS: 3999-55-1 Cat. No.: D137590 Peso molecular: 186.21

GRADE & PURITY ≥97%

Synonyms

1,2-Cyclopropanedicarboxylic acid, diethyl ester, (1R,2R)-rel- | D4743 | trans-1,2-Cyclopropanedicarboxylic Acid Diethyl Ester | (1R,2R)-Diethyl cyclopropane-1,2-dicarboxylate | SXLDHZFJMXLFJU-RNFRBKRXSA-N | trans-Diethyl cyclopropane-1,2-dicarboxylate |

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Describtion:

Diethyl trans-1,2-cyclopropanedicarboxylate was obtained from the reaction of bis(acetonitrile)bis(diethyl fumarate)cobalt(0) with dibromomethane.

Specifications

Sinónimos

1, 2-Cyclopropanedicarboxylic acid, diethyl ester, (1R, 2R)-rel- | D4743 | trans-1, 2-Cyclopropanedicarboxylic Acid Diethyl Ester | (1R, 2R)-Diethyl cyclopropane-1, 2-dicarboxylate | SXLDHZFJMXLFJU-RNFRBKRXSA-N | trans-Diethyl cyclopropane-1, 2-dicarboxylate |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488197676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197676
• Sonrisas canónicas: CCOC(=O)C1CC1C(=O)OCC
• IUPAC Name: diethyl (1R,2R)-cyclopropane-1,2-dicarboxylate
• InChIKey: SXLDHZFJMXLFJU-RNFRBKRXSA-N
• INCHI: 1S/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
• Isómeros SMILES: CCOC(=O)[C@@H]1C[C@H]1C(=O)OCC
• WGK Alemania: 3
• Peso molecular: 186.21
• Reaxy-Rn: 2331025
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2331025&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Cyclopropanecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Cyclopropanecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopropanecarboxylic acids and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids and derivatives. These are organic compounds containing a carboxyl group (or a derivative thereof) attached to a cyclopropane ring.
• 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

• Índice de refracción: 1.44
• Punto de inflamación (°F): 208.4 °F
• Punto de inflamación (°C): 98 °C
• Punto de ebullición (°C): 71 °C/1 mmHg
• Peso molecular: 186.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 186.089 Da
• Monoisotopic Mass: 186.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190.000
• 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