Cas no 64111-75-7 (Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans-)

Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans- structure
64111-75-7 structure
Product Name:Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans-
CAS No:64111-75-7
MF:C16H26O4
MW:282.375245571136
CID:6636657
PubChem ID:92938981
Update Time:2024-01-04

Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans- Chemical and Physical Properties

Names and Identifiers

    • 70P04IFK5M
    • 64111-75-7
    • Q27265882
    • trans-dibutyl 4-cyclohexene-1,2-dicarboxylate
    • Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans-
    • 4-Cyclohexene-1,2-dicarboxylic acid, dibutyl ester, trans-
    • UNII-70P04IFK5M
    • 4-Cyclohexene-1,2-dicarboxylic acid, dibutyl ester, trans- (9CI)
    • 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-/m1/s1
    • InChI Key： ANOXPYCDNXHEEE-ZIAGYGMSSA-N
    • SMILES： O(CCCC)C([C@@H]1CC=CC[C@H]1C(=O)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

Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans- 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

Production Method 2

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

Production Method 3

Reaction Conditions
1.1 4 h, 200 °C
2.1 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

Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans- Raw materials

Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans- Preparation Products

Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans- Related Literature

64111-75-7 (Dibutyl 4-cyclohexene-1,2-dicarboxylate, trans-) Related Products

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