Cas no 78989-37-4 (4-Octenoic acid, ethylester, (4E)-)

4-Octenoic acid, ethylester, (4E)- structure
78989-37-4 structure
Product Name:4-Octenoic acid, ethylester, (4E)-
CAS No:78989-37-4
MF:C10H18O2
MW:170.248723506927
MDL:MFCD00015573
CID:566541
Update Time:2024-02-23

4-Octenoic acid, ethylester, (4E)- Chemical and Physical Properties

Names and Identifiers

    • 4-Octenoic acid, ethylester, (4E)-
    • ethyl (E)-oct-4-enoate
    • Ethyl Trans-4-Octenoate
    • 4E-octenoic acid ethyl ester
    • 4-Octenoic acid,ethyl ether
    • EINECS 279-035-0
    • 4-Octenoic acid, ethyl ester, (E)- (ZCI)
    • Ethyl (4E)-4-octenoate (ACI)
    • MDL: MFCD00015573
    • Inchi: 1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
    • InChI Key: WRUZCQAJIHSQPL-VOTSOKGWSA-N
    • SMILES: C(=O)(OCC)CC/C=C/CCC

Computed Properties

  • Exact Mass: 170.13100
  • Monoisotopic Mass: 170.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 139
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Density: 0.878?g/mL?at 25?°C(lit.)
  • Boiling Point: 150?°C/11?mmHg(lit.)
  • Flash Point: 79?°C
  • Refractive Index: n20/D 1.432(lit.)
  • PSA: 26.30000
  • LogP: 2.68600

4-Octenoic acid, ethylester, (4E)- Security Information

4-Octenoic acid, ethylester, (4E)- Pricemore >>

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4-Octenoic acid, ethylester, (4E)- Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Cyclohexanecarboxylic acid Solvents: Triethyl orthoacetate ;  3 h, reflux
Reference
Ortho-substituted iodobenzenes as novel organocatalysts for bromination of alkenes
Braddock, D. Christopher; Cansell, Gemma; Hermitage, Stephen A., Chemical Communications (Cambridge, 2006, (23), 2483-2485

Production Method 2

Reaction Conditions
1.1 Solvents: Propionic acid ;  3 h, 119 °C
Reference
Multienzymatic Synthesis of γ-Lactam Building Blocks from Unsaturated Esters and Hydroxylamine
Jager, Christina; Nieger, Martin ; Rissanen, Kari ; Deska, Jan, European Journal of Organic Chemistry, 2023, 26(39),

Production Method 3

Reaction Conditions
1.1 Catalysts: Propionic acid
Reference
New stereoselective synthesis of (±)-trans-2-butyl-5-heptyl-1-methylpyrrolidine, ant venom alkaloid, by aminyl radical cyclization
Senboku, Hisanori; Hasegawa, Hikaru; Orito, Kazuhiko; Tokuda, Masao, Heterocycles, 1999, 50(1), 333-340

Production Method 4

Reaction Conditions
1.1 Catalysts: Propionic acid ;  2 h, 135 - 137 °C
Reference
Synthesis of 5Z,9E-tridecadien-1-ylacetate, an attractant of Trichoplusia ni
Vakhidov, R. R.; Alekseev, S. B., Chemistry of Natural Compounds, 2011, 47(1), 94-95

Production Method 5

Reaction Conditions
1.1 Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Tetrahydrofuran
Reference
Palladium catalyzed allylation of Reformatskii reagents. Synthesis of γ,δ-unsaturated esters
Boldrini, Gian Paolo; Mengoli, Marina; Tagliavini, Emilio; Trombini, Claudio; Umani-Ronchi, Achille, Tetrahedron Letters, 1986, 27(35), 4223-6

4-Octenoic acid, ethylester, (4E)- Raw materials

4-Octenoic acid, ethylester, (4E)- Preparation Products

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