Cas no 109270-88-4 (rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate)

rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate structure
109270-88-4 structure
Product Name:rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate
CAS No:109270-88-4
MF:C16H26O4
MW:282.375245571136
CID:6636656
PubChem ID:92938979
Update Time:2024-01-16

rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • cis-dibutyl 4-cyclohexene-1,2-dicarboxylate
    • 4-Cyclohexene-1,2-dicarboxylic acid, dibutyl ester, cis-
    • Dibutyl 4-cyclohexene-1,2-dicarboxylate, cis-
    • 109270-88-4
    • 4-Cyclohexene-1,2-dicarboxylic acid, 1,2-dibutyl ester, (1R,2S)-rel-
    • UNII-CR7756DQFA
    • CR7756DQFA
    • Q27275684
    • rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate
    • Inchi： 1S/C16H26O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-8,13-14H,3-6,9-12H2,1-2H3/t13-,14+
    • InChI Key： ANOXPYCDNXHEEE-OKILXGFUSA-N
    • SMILES： [C@@H]1(C(OCCCC)=O)CC=CC[C@@H]1C(OCCCC)=O

Computed Properties

  • Exact Mass: 282.18310931g/mol
  • Monoisotopic Mass: 282.18310931g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 10
  • Complexity: 303
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.0178 g/cm3
  • Boiling Point: 145-146 °C(Press: 3 Torr)

rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Rhenium oxide (Re2O7) Solvents: 1-Butanol ;  12 h, 170 °C
Reference
Production of Plant Phthalate and its Hydrogenated Derivative from Bio-Based Platform Chemicals
Lu, Rui; et al, ChemSusChem, 2018, 11(10), 1621-1627

rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate Raw materials

rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate Preparation Products

rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate Related Literature

109270-88-4 (rel-1,2-Dibutyl (1R,2S)-4-cyclohexene-1,2-dicarboxylate) Related Products

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