Product Name

  • Name

    3,3-DIETHOXYPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER

  • EINECS
  • CAS No. 21339-47-9
  • Article Data18
  • CAS DataBase
  • Density 1.048 g/cm3
  • Solubility
  • Melting Point
  • Formula C13H24O6
  • Boiling Point 331.4 °C at 760 mmHg
  • Molecular Weight 276.33
  • Flash Point 140.7 °C
  • Transport Information
  • Appearance
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 21339-47-9 (3,3-DIETHOXYPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER)
  • Hazard Symbols
  • Synonyms 3,3-Diethoxypropane-1,1-dicarboxylic acid diethyl ester;
  • PSA 71.06000
  • LogP 1.51800

Diethyl 2-(2,2-diethoxyethyl)propanedioate Specification

The CAS registry number of Diethyl 2-(2,2-diethoxyethyl)propanedioate is 21339-47-9. This chemical is also named as 3,3-Diethoxypropane-1,1-dicarboxylic acid diethyl ester. In addition, its molecular formula is C13H24O6 and molecular weight is 276.33. Its systematic name and IUPAC name are the same which is called diethyl (2,2-diethoxyethyl)propanedioate. You should avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 12; (6)Index of Refraction: 1.438; (7)Molar Refractivity: 69.23 cm3; (8)Molar Volume: 263.5 cm3; (9)Surface Tension: 33.2 dyne/cm; (10)Density: 1.048 g/cm3; (11)Flash Point: 140.7 °C; (12)Enthalpy of Vaporization: 57.4 kJ/mol; (13)Boiling Point: 331.4 °C at 760 mmHg; (14)Vapour Pressure: 0.000157 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-1,1-diethoxy-ethane and malonic acid diethyl ester. This reaction will need reagents NaOEt, NaI and solvent ethanol. The reaction time is 48 hours by heating. The yield is about 60 %.

diethyl 2-(2,2-diethoxyethyl)propanedioate can be prepared by 2-bromo-1,1-diethoxy-ethane and malonic acid diethyl ester

Uses of Diethyl 2-(2,2-diethoxyethyl)propanedioate: it can be used to produce 2-(2,2-diethoxy-ethyl)-propane-1,3-diol at temperature of 20 °C. It will need reagent LiAlH4 and solvent diethyl ether with reaction time of 18 hours. The yield is about 94 %.

diethyl 2-(2,2-diethoxyethyl)propanedioate can be used to produce 2-(2,2-diethoxy-ethyl)-propane-1,3-diol

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)CC(OCC)OCC
(2)InChI: InChI=1/C13H24O6/c1-5-16-11(17-6-2)9-10(12(14)18-7-3)13(15)19-8-4/h10-11H,5-9H2,1-4H3
(3)InChIKey: VQUXMFKGQFXVBC-UHFFFAOYAU

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