Cas no 22646-79-3 (Dimethyl cyclohex-1-ene-1,4-dicarboxylate)

Dimethyl cyclohex-1-ene-1,4-dicarboxylate structure
22646-79-3 structure
Product Name:Dimethyl cyclohex-1-ene-1,4-dicarboxylate
CAS No:22646-79-3
MF:C10H14O4
MW:198.215763568878
CID:2659821
Update Time:2023-08-06

Dimethyl cyclohex-1-ene-1,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 1-cyclohexen-1,4-dicarboxylate
    • dimethyl cyclohex-1-ene-1,4-dicarboxylate
    • BSHSHYMAFOAWMD-UHFFFAOYSA-N
    • 1-Cyclohexene-1,4-dicarboxylic acid dimethyl ester
    • Dimethyl cyclohex-1-ene-1,4-dicarboxylate
    • Inchi: 1S/C10H14O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3,8H,4-6H2,1-2H3
    • InChI Key: BSHSHYMAFOAWMD-UHFFFAOYSA-N
    • SMILES: O(C)C(C1CC=C(C(=O)OC)CC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 267
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Density: 1.1825 (rough estimate)
  • Melting Point: 39°C
  • Boiling Point: 295.53°C (rough estimate)
  • Refractive Index: 1.5550 (estimate)

Dimethyl cyclohex-1-ene-1,4-dicarboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Diglyme ;  24 h, 1.79 MPa, 165 °C
1.2 Catalysts: Palladium ;  rt; rt → 169 °C; 8 h, 169 °C
Reference
Preparation of trans,trans muconic acid and trans,trans muconates
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Dimethyl cyclohex-1-ene-1,4-dicarboxylate Raw materials

Dimethyl cyclohex-1-ene-1,4-dicarboxylate Preparation Products

Dimethyl cyclohex-1-ene-1,4-dicarboxylate Related Literature

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