Cas no 818-59-7 (Methyl 2-pentenoate)

Methyl 2-pentenoate structure
Methyl 2-pentenoate structure
Product Name:Methyl 2-pentenoate
CAS No:818-59-7
MF:C6H10O2
MW:114.142402172089
MDL:MFCD00137611
CID:94153
PubChem ID:5364718
Update Time:2024-10-27

Methyl 2-pentenoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-pentenoate
    • METHYL PENT-2-ENOATE
    • METHYL TRANS-2-PENTENOATE
    • 2-Pentenoic acid methyl ester
    • 2-pentenoic methyl ester
    • methyl 2-cis-pentenoate
    • methyl 2-penteneoate
    • methyl 2-trans-pentenoate
    • CS-0161339
    • (E)-Pent-2-enoic acid methyl ester
    • 2-Pentenoic acid, methyl ester
    • (E)-methyl pent-2-enoate
    • MFCD00137611
    • Q10348365
    • 15790-88-2
    • 2-Pentenoic acid, methyl ester, (E)-
    • Methyl trans-pent-2-enoate
    • 2-Pentenoic acid, methyl ester, (2E)-
    • 1-(Methoxycarbonyl)but-1-ene
    • methyl (E)-pent-2-enoate
    • A883468
    • AKOS006223900
    • J-800373
    • (1R,2S,3R,4R)DiOH-4-(OHmEt)-1-NCYPe HCl
    • methyl 2-transpentenoate
    • AS-54554
    • Methyl 3-ethylacrylate
    • trans-methyl pent-2-enoate
    • 818-59-7
    • S12000
    • (E)-C2H5CH=CHC(O)OCH3
    • Methyl (2E)-pent-2-enoate
    • METHYL2-PENTENOATE
    • G15160
    • MDL： MFCD00137611
    • Inchi： 1S/C6H10O2/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3
    • InChI Key： MBAHGFJTIVZLFB-UHFFFAOYSA-N
    • SMILES： O=C(C=CCC)OC

Computed Properties

  • Exact Mass: 114.06800
  • Monoisotopic Mass: 114.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 94.7
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.4

Experimental Properties

  • Color/Form: Colorless Transparent Liquid
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 81-82°C 45mm
  • Flash Point: 76.2±26.5 °C
  • PSA: 26.30000
  • LogP: 1.12560
  • Vapor Pressure: 0.3±0.4 mmHg at 25°C
  • Solubility: Insoluble in water

Methyl 2-pentenoate Security Information

Methyl 2-pentenoate Customs Data

  • HS CODE：29159000

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Methyl 2-pentenoate Production Method

Production Method 1

Reaction Conditions
Reference
A convenient synthetic route to (E)-2-penten-1-ol
Gastaminza, Alicia E.; et al, Journal of Organic Chemistry, 1984, 49(20), 3859-60

Production Method 2

Reaction Conditions
1.1 Catalysts: Methanesulfonic acid ,  Tris(dibenzylideneacetone)dipalladium ,  1,2-Bis[(di-tert-butylphosphino)methyl]benzene (reaction product wtih palladium) Solvents: Methanol ;  3 h, 30 bar, 80 °C
Reference
Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalyzed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene
Magro, A. Alberto Nunez; et al, Chemical Science, 2010, 1(6), 723-730

Production Method 3

Reaction Conditions
Reference
Process and catalysts for the manufacture of 5-formylpentanoic acid esters
, European Patent Organization, , ,

Production Method 4

Reaction Conditions
Reference
Process and catalysts for the manufacture of 5-formylpentanoic acid esters
, European Patent Organization, , ,

Production Method 5

Reaction Conditions
Reference
Process for the preparation of 5-methylbutyrolactone from alkyl pentenoates in the presence of water and acid catalysts
, European Patent Organization, , ,

Production Method 6

Reaction Conditions
Reference
Manufacture of 4-pentenoic acid esters
, Federal Republic of Germany, , ,

Production Method 7

Reaction Conditions
Reference
Preparation of 3-pentenoate esters from 2-pentenoates
, Federal Republic of Germany, , ,

Production Method 8

Reaction Conditions
1.1 220 °C
Reference
Development of the chemical manufacturing process using the non-edible biomass resources as the raw material
Yamada, Atsushi; et al, Fain Kemikaru, 2022, 51(6), 39-46

Production Method 9

Reaction Conditions
Reference
Procedure for the preparation of 4-pentenoic acid esters from 5-methylbutyrolactone and alkanols
, Federal Republic of Germany, , ,

Production Method 10

Reaction Conditions
1.1 Solvents: Benzene ;  reflux
Reference
Zn-catalyzed asymmetric allylation for the synthesis of optically active allylglycine derivatives. Regio- and stereoselective formal α-addition of allylboronates to hydrazono esters
Fujita, Mari; et al, Journal of the American Chemical Society, 2008, 130(10), 2914-2915

Production Method 11

Reaction Conditions
1.1 Catalysts: Tetramethyltin ,  Rhenium oxide (Re2O7) Solvents: Hexane
Reference
Heterogeneous metathesis of unsaturated esters using a rhenium-based catalyst
Bosma, R. H. A.; et al, Journal of Organometallic Chemistry, 1983, 255(2), 159-71

Production Method 12

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ;  rt; 45 min, reflux
Reference
Stereoselective alkylation of oxathiazinane N,O-ketals for the construction of aza-quaternary carbon centers
Nambu, Hisanori; et al, Heterocycles, 2021, 103(1), 425-443

Production Method 13

Reaction Conditions
Reference
Procedure for preparation of alkenecarboxylic acid esters by reaction of lactones with alkanols in the presence of acid catalysts
, Federal Republic of Germany, , ,

Production Method 14

Reaction Conditions
Reference
Manufacture of 4-pentenoate esters
, Federal Republic of Germany, , ,

Production Method 15

Reaction Conditions
Reference
A convenient synthetic route to (E)-2-penten-1-ol
Gastaminza, Alicia E.; et al, Journal of Organic Chemistry, 1984, 49(20), 3859-60

Production Method 16

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: N 218 ;  0.5 MPa, 160 - 170 °C
2.1 220 °C
Reference
Development of the chemical manufacturing process using the non-edible biomass resources as the raw material
Yamada, Atsushi; et al, Fain Kemikaru, 2022, 51(6), 39-46

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