2,5-Dibromoadipic Acid Diethyl Ester - ≥98% , CAS No.869-10-3

CAS: 869-10-3 Cat. No.: D139355 Formule: [-CH₂CH(Br)CO₂C₂H₅]₂ Poids moléculaire: 360.04 Numéro CE: 629-459-0

GRADE & PURITY ≥98%

Synonyms

BCP17029 | DTXSID20969201 | STL367872 | VS-08146 | UBCNJHBDCUBIPB-UHFFFAOYSA-N | diethyl2,5-dibromohexanedioate | Hexanedioic acid, 2,5-dibromo-, diethyl ester | A841876 | AKOS016842434 | NCGC00325909-01 | AMY1635 | FT-0624845 | NSC143938 | NSC-143938 | 2

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Diethyl meso-2,5-dibromoadipate reacts with N-methylallylamine in the presence of potassium carbonate to yield two diastereomers of diethyl 2-allyl-N-methylpyrrolidine-2,5-dicarboxylate.
Diethyl meso-2,5-dibromoadipate may be employed as difunctional initiator during n-butyl acrylate (n-BuA) polymerization, leading to α,ω-bromo-poly(n-BuA) having narrow molecular weight distribution.

Specifications

Synonymes

BCP17029 | DTXSID20969201 | STL367872 | VS-08146 | UBCNJHBDCUBIPB-UHFFFAOYSA-N | diethyl2,5-dibromohexanedioate | Hexanedioic acid, 2,5-dibromo-, diethyl ester | A841876 | AKOS016842434 | NCGC00325909-01 | AMY1635 | FT-0624845 | NSC143938 | NSC-143938 | 2

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528755547
• Sourires canoniques: CCOC(=O)C(CCC(C(=O)OCC)Br)Br
• IUPAC Name: diethyl 2,5-dibromohexanedioate
• InChIKey: UBCNJHBDCUBIPB-UHFFFAOYSA-N
• INCHI: 1S/C10H16Br2O4/c1-3-15-9(13)7(11)5-6-8(12)10(14)16-4-2/h7-8H,3-6H2,1-2H3
• Isomères SMILES: CCOC(=O)C(CCC(C(=O)OCC)Br)Br
• WGK Allemagne: 3
• Numéro ONU: 3261
• Groupe d'emballage: II
• Poids moléculaire: 360.04
• Reaxy-Rn: 1727847
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727847&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Sensibilité: Light Sensitive
• Point d'ébullition (°C): 134 °C/0.5 mmHg
• Point de fusion (°C): 66 °C
• Poids moléculaire: 360.040 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 359.939 Da
• Monoisotopic Mass: 357.942 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 209.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1