Pent-3-enoic acid

Base Information

• Chemical Name: Pent-3-enoic acid
• CAS No.: 5204-64-8
• Molecular Formula: C5H8 O2
• Molecular Weight: 100.117
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID001316753
• Wikidata: Q27117611
• Mol file: 5204-64-8.mol

Synonyms:pent-3-enoic acid;DTXSID001316753;D92067;Q27117611

Chemical Property of Pent-3-enoic acid

Chemical Property:

• Vapor Pressure: 0.219mmHg at 25°C
• Melting Point: 20.44°C (estimate)
• Refractive Index: n20/D 1.435
• Boiling Point: 192°Cat760mmHg
• PKA: 4.52±0.10(Predicted)
• Flash Point: 89.5°C
• PSA: 37.30000
• Density: 1.008g/cm³
• LogP: 1.03720
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 84.1

Purity/Quality:

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

3-Pentenoic acid is mainly present in the trans-form (≥90% GC), ≥95.0% (sum of isomers, GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1743187
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: CC=CCC(=O)O

Technology Process of Pent-3-enoic acid

There total 21 articles about Pent-3-enoic acid 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:

(E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + carbon monoxide (201230-82-2) → Adipic acid (124-04-9) + pent-4-enoic acid (591-80-0) + pent-2-enoic acid (626-98-2,13991-37-2,16666-42-5) + 2-methylglutaric acid (18069-17-5) + monoethylsuccinic acid (636-48-6) + 3-pentenoic acid (5204-64-8)

Guidance literature:

With α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; water; toluene-4-sulfonic acid; palladium dichloride; In tetrahydrofuran; at 125 ℃; for 24h; under 30003 Torr; Reagent/catalyst; regioselective reaction; Autoclave; Green chemistry;

DOI:10.1002/anie.202008916

Reference yield:

5-methyl-dihydro-furan-2-one (108-29-2) → pent-4-enoic acid (591-80-0) + pent-2-enoic acid (626-98-2,13991-37-2,16666-42-5) + 3-pentenoic acid (5204-64-8)

Guidance literature:

With hydrogen; silica-alumina; In water; at 349.84 ℃; under 760.051 Torr; Product distribution / selectivity;

Reference yield:

carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → pent-4-enoic acid (591-80-0) + pent-2-enoic acid (626-98-2,13991-37-2,16666-42-5) + 3-pentenoic acid (5204-64-8)

Guidance literature:

With water; In nonanoic acid; at 130 ℃; for 68.5h; under 37503.8 - 60006 Torr; Conversion of starting material;

upstream raw materials:

3-hydroxyvaleric acid

malonic acid

acetic acid

propionaldehyde

Downstream raw materials:

3-pentenoyl chloride

4-phenyl-1-pentanoic acid

pent-2-enoic acid

5-methyl-dihydro-furan-2-one