Pent-3-enal

Base Information

• Chemical Name: Pent-3-enal
• CAS No.: 58838-14-5
• Molecular Formula: C5H8O
• Molecular Weight: 84.1179
• European Community (EC) Number: 227-024-6
• Nikkaji Number: J860.090B,J225.051I
• Mol file: 58838-14-5.mol

Synonyms:Pent-3-enal;trans-3-Pentenal;5604-55-7;58838-14-5;3-Pentenal;EINECS 227-024-6;(E)-3-Pentenal;(3E)-pent-3-enal;(E)-3-Penten-1-one;WUCQRXWCJPCWTQ-NSCUHMNNSA-N

Chemical Property of Pent-3-enal

Chemical Property:

• Boiling Point: 101.3°Cat760mmHg
• Flash Point: °C
• Density: 0.824g/cm³
• XLogP3: 0.7
• 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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCC=O
• Isomeric SMILES: C/C=C/CC=O

Technology Process of Pent-3-enal

There total 26 articles about Pent-3-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:

carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → pentanal (110-62-3) + butanedial (638-37-9) + 3-penten-1-on (58838-14-5)

Guidance literature:

C₄₆H₂₈Cl₂N₂O₆P₂; dicarbonyl(2,2,6,6-tetramethyl-3,5-heptanedionato)rhodium; In tetrahydrofuran; at 90 ℃; for 2h; under 51716.2 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-3-enal (53448-06-9,58838-14-5,5604-55-7)

Guidance literature:

With hydrogen; acetylacetonatodicarbonylrhodium(l); (R,S)-binaphos; In benzene; at 30 ℃; under 76000 Torr; Yield given;

DOI:10.1039/CC9960000155

Reference yield:

1,4-hexadiene (592-45-0) → pent-3-enal (53448-06-9,58838-14-5,5604-55-7)

Guidance literature:

1,4-hexadiene; With cis-[Ru(2,9-Me₂phen)₂(OH₂)₂](PF₆)₂; In acetonitrile; at 55 ℃; for 0.5h;

With dihydrogen peroxide; In acetonitrile; for 8h;

DOI:10.1021/ol052025e

upstream raw materials:

3-pentene-1,2-diol

trans-2-pentene-1,4-diol

1-(2-ethoxy-cyclopropyl)-ethanol

1-(2-phenoxy-cyclopropyl)-ethanol

Downstream raw materials:

(9E,12E)-Tetradeca-9,12-dien-1-ol

cis-2-penten-1-one

trans-2-pentenal

pentanal

Refernces

• 1、 Maji, Tapan,Mendis, Camina H.,Thompson, Ward H.,Tunge, Jon A.. "Evidence for isomerizing hydroformylation of butadiene. A combined experimental and computational study". . p. 145 - 152. Retrieved 2016/09/09.
• 2、 Kogan, Vladimir,Quintal, Miriam M.,Neumann, Ronny. "Regioselective alkene carbon-carbon bond cleavage to aldehydes and chemoselective alcohol oxidation of allylic alcohols with hydrogen peroxide catalyzed by [cis-Ru(II)(dmp)2(H2O)2] 2+ (dmp = 2,9-dimethylphenanthroline)". . p. 5039 - 5042. Retrieved 2007/10/03.