Cas no 84873-15-4 (p-Hydroxyphenethyl trans-ferulate)

p-Hydroxyphenethyl trans-ferulate structure
84873-15-4 structure
Product Name:p-Hydroxyphenethyl trans-ferulate
CAS No:84873-15-4
MF:C18H18O5
MW:314.332525730133
MDL:MFCD28975369
CID:1080889
PubChem ID:637308
Update Time:2024-10-26

p-Hydroxyphenethyl trans-ferulate Chemical and Physical Properties

Names and Identifiers

    • p-Hydroxyphenethyl trans-ferulate
    • p-Hydroxyphenethyl trans-ferulat
    • [ "" ]
    • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-(4-hydroxyphenyl)ethyl ester, (E)- (ZCI)
    • 4-Hydroxyphenethyl trans-ferulate
    • p-Hydroxyphenethyltrans-ferulate
    • 84873-15-4
    • AKOS025288299
    • CHEBI:175029
    • CHEMBL481245
    • CS-0023170
    • 2-(4-hydroxyphenyl)ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • (4-Hydroxyphenyl)ethyl trans-ferulate
    • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-(4-hydroxyphenyl)ethyl ester, (E)-; 4-Hydroxyphenethyl trans-ferulate
    • SCHEMBL12298709
    • DTXSID10348425
    • BDBM50259746
    • 3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid 2-(4-hydroxy-phenyl)-ethyl ester
    • InChI=1/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5
    • BCP16493
    • Hydroxyphenethylferulate
    • 2-(4-hydroxyphenyl)ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • MS-24614
    • 4-Hydroxyphenethyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
    • HY-N3078
    • p-Hydroxyphenylethyl-trans-ferulate
    • G14583
    • MDL: MFCD28975369
    • Inchi: 1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
    • InChI Key: JMSFLLZUCIXALN-WEVVVXLNSA-N
    • SMILES: C(/C1C=CC(O)=C(OC)C=1)=C\C(=O)OCCC1C=CC(O)=CC=1

Computed Properties

  • Exact Mass: 314.11500
  • Monoisotopic Mass: 314.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 7
  • Complexity: 387
  • 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
  • XLogP3: 3.4
  • Topological Polar Surface Area: 76?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.265±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 168-169 oC
  • Boiling Point: 530.1±50.0 °C at 760 mmHg
  • Flash Point: 193.3±23.6 °C
  • Solubility: Very slightly soluble (0.1 g/l) (25 o C),
  • PSA: 75.99000
  • LogP: 2.90550
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

p-Hydroxyphenethyl trans-ferulate Security Information

p-Hydroxyphenethyl trans-ferulate Pricemore >>

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p-Hydroxyphenethyl trans-ferulate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triphenylphosphine ,  Diisopropyl azodicarboxylate Solvents: Tetrahydrofuran ;  0 °C; 30 min, 0 °C; 48 h, rt
Reference
Novel c-Met inhibitory olive secoiridoid semisynthetic analogs for the control of invasive breast cancer
Mohyeldin, Mohamed M.; Busnena, Belnaser A.; Akl, Mohamed R.; Dragoi, Ana Maria; Cardelli, James A.; et al, European Journal of Medicinal Chemistry, 2016, 118, 299-315

Production Method 2

Reaction Conditions
1.1 Reagents: Triphenylphosphine ,  Diisopropyl azodicarboxylate Solvents: Tetrahydrofuran ;  0 °C; rt
Reference
Inhibition of mammalian carbonic anhydrase isoforms I-XIV with a series of phenolic acid esters
Maresca, Alfonso; Akyuz, Gulay; Osman, Sameh M.; AlOthman, Zeid; Supuran, Claudiu T., Bioorganic & Medicinal Chemistry, 2015, 23(22), 7181-7188

Production Method 3

Reaction Conditions
1.1 Reagents: Triphenylphosphine ,  Diisopropyl azodicarboxylate Solvents: Tetrahydrofuran ;  48 h, rt
Reference
Synthesis of amide and ester derivatives of cinnamic acid and its analogs: evaluation of their free radical scavenging and monoamine oxidase and cholinesterase inhibitory activities
Takao, Koichi; Toda, Kazuhiro; Saito, Takayuki; Sugita, Yoshiaki, Chemical & Pharmaceutical Bulletin, 2017, 65(11), 1020-1027

p-Hydroxyphenethyl trans-ferulate Raw materials

p-Hydroxyphenethyl trans-ferulate Preparation Products

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