Pent-2-enal

Base Information

• Chemical Name: Pent-2-enal
• CAS No.: 764-39-6
• Molecular Formula: C₅H₈O
• Molecular Weight: 84.1179
• European Community (EC) Number: 212-120-2
• DSSTox Substance ID: DTXSID9061091
• Wikidata: Q81989309
• Mol file: 764-39-6.mol

Synonyms:2-pentenal;2-pentenal, (E)-isomer;pent-2-enal

Chemical Property of Pent-2-enal

Chemical Property:

• Vapor Pressure: 11.5mmHg at 25°C
• Melting Point: -101.15°C (estimate)
• Refractive Index: n20/D 1.440-1.446(lit.)
• Boiling Point: 126.8oC at 760 mmHg
• Flash Point: 21.9oC
• PSA: 17.07000
• Density: 0.824g/cm3
• LogP: 1.15150
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 55

Purity/Quality:

99% ^*data from raw suppliers

TRANS-2-PENTENAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 29

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CC=O

Technology Process of Pent-2-enal

There total 34 articles about Pent-2-enal 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: 20.0%

acetaldehyde (75-07-0,9002-91-9) + propionaldehyde (123-38-6) → 2-pentenal (1576-86-9,1576-87-0,764-39-6) + 2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9) + crotonaldehyde (123-73-9,4170-30-3)

Guidance literature:

With aniline hydrochloride; In N,N-dimethyl acetamide; at 125 ℃; for 3h; Autoclave;

DOI:10.1134/S0965544118120083

Reference yield: 9.8%

hepta-2,4-dienal (5910-85-0) → 2-pentenal (1576-86-9,1576-87-0,764-39-6) + acetaldehyde (75-07-0,9002-91-9) + propionaldehyde (123-38-6)

Guidance literature:

In aq. phosphate buffer; at 200 ℃; for 1h; pH=8; pH-value; Concentration; Time; Temperature;

DOI:10.1016/j.foodchem.2014.11.034

Reference yield:

1-penten (109-67-1) → formic acid (64-18-6) + 1,2-pentanediol (5343-92-0) + 2-pentenal (1576-86-9,1576-87-0,764-39-6)

Guidance literature:

1-penten; at 25 ℃; for 24h; Irradiation;

With water;

upstream raw materials:

5-ethyl-isotetronic acid

4-pentene-2,3-diol

1,1-diethoxy-pent-2-ene

3-pentene-1,2-diol

Downstream raw materials:

pentanal

(E)-2-penten-1-ol

pentan-1-ol

pent-2-enoic acid

Refernces

• 1、 Zhang, Mengqi,Zhai, Yongyan,Ru, Shi,Zang, Dejin,Han, Sheng,Yu, Han,Wei, Yongge. "Highly practical and efficient preparation of aldehydes and ketones from aerobic oxidation of alcohols with an inorganic-ligand supported iodine catalyst". supporting information. p. 10164 - 10167. Retrieved 2018/09/13.
• 2、 Meazza, Marta,Potter, Michael,Pitak, Mateusz B.,Coles, Simon J.,Mazzanti, Andrea,Rios, Ramon. "Highly Enantioselective Synthesis of Alkylpyridine Derivatives through a Michael/Michael/Aldol Cascade Reaction". supporting information. p. 719 - 725. Retrieved 2017/02/05.