Methyl 2-pentenoate

Base Information

• Chemical Name: Methyl 2-pentenoate
• CAS No.: 818-59-7
• Molecular Formula: C₆H₁₀O₂
• Molecular Weight: 114.144
• Hs Code.: 29159000
• European Community (EC) Number: 617-264-3,672-250-4
• Nikkaji Number: J124.328D,J126.490G
• Wikidata: Q10348365
• Mol file: 818-59-7.mol

Synonyms:Methyl 2-pentenoate;818-59-7;15790-88-2;methyl trans-2-pentenoate;Methyl (2E)-pent-2-enoate;(E)-methyl pent-2-enoate;methyl (E)-pent-2-enoate;2-Pentenoic acid, methyl ester;2-Pentenoic acid, methyl ester, (2E)-;2-Pentenoic acid, methyl ester, (E)-;MFCD00137611;METHYL2-PENTENOATE;Methyl 3-ethylacrylate;methyl 2-transpentenoate;methyl 2-trans-pentenoate;Methyl (E)-2-pentenoate;trans-methyl pent-2-enoate;Methyl trans-pent-2-enoate;2-pentenoic acid methyl ester;1-(Methoxycarbonyl)but-1-ene;(E)-C2H5CH=CHC(O)OCH3;(E)-Pent-2-enoic acid methyl ester;AKOS006223900;AS-54554;CS-0161339;S12000;A883468;(1R,2S,3R,4R)DiOH-4-(OHmEt)-1-NCYPe HCl;J-800373;Q10348365

Chemical Property of Methyl 2-pentenoate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Boiling Point: 81-82°C 45mm
• PSA: 26.30000
• Density: 0.915±0.06 g/cm3(Predicted)
• LogP: 1.12560
• Storage Temp.: Flammables area
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 94.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl pent-2-enoate 97% ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CC(=O)OC
• Isomeric SMILES: CC/C=C/C(=O)OC

Technology Process of Methyl 2-pentenoate

There total 40 articles about Methyl 2-pentenoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 6.0%

methanol (67-56-1) + 5-methyl-dihydro-furan-2-one (108-29-2) → Methyl 4-pentenoate (818-57-5) + methyl 2-pentenoate (15790-87-1,15790-88-2,818-59-7) + methyl 3-pentenoate (20515-19-9,36781-66-5,818-58-6)

Guidance literature:

With sodium X zeolite; at 215 ℃; for 1h; Inert atmosphere;

Reference yield: 5.1%

Bu4 NCl hydrate + trans-1-methoxy-butene (10034-13-6) → Methyl (E)-2-pentenoate (15790-87-1,818-59-7,15790-88-2) + methyl (E)-pent-3-enoate (818-58-6)

Guidance literature:

palladium dichloride; In 1-methyl-pyrrolidin-2-one; CO;

Reference yield: 3.4%

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + Bu4 NCl hydrate + trans-1-methoxy-butene (10034-13-6) → Methyl (E)-2-pentenoate (15790-87-1,818-59-7,15790-88-2) + methyl (E)-pent-3-enoate (818-58-6)

Guidance literature:

palladium dichloride;

upstream raw materials:

methanol

trans-2-pentenoic acid

2-Bromovaleric acid

methyl cis-2-pentenoate

Downstream raw materials:

3-cyclohexylacrylic acid methyl ester

methyl 3-cylohexylpentanoate

methyl (2E)-3-cyclohexylprop-2-enoate

(3R,4R)-4-Cyano-4-[((4S,5S)-2,2-dimethyl-4-phenyl-[1,3]dioxan-5-yl)-methyl-amino]-3-ethyl-heptanoic acid methyl ester

Refernces

• 1、 Camp, Andrew M.,Kita, Matthew R.,Blackburn, P. Thomas,Dodge, Henry M.,Chen, Chun-Hsing,Miller, Alexander J.M.. "Selecting double bond positions with a single cation-responsive iridium olefin isomerization catalyst". supporting information. p. 2792 - 2800. Retrieved 2021/03/01.
• 2、 -. "OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF". Paragraph 00806; 00808. . Retrieved 2021/11/26.