potassium (1E,3E)-5-oxopenta-1,3-dien-1-olate

Base Information

• Chemical Name: potassium (1E,3E)-5-oxopenta-1,3-dien-1-olate
• CAS No.: 40418-44-8
• Molecular Formula: C5H6O2.K
• Molecular Weight: 136.192
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID20422149
• Nikkaji Number: J2.154.327F
• Mol file: 40418-44-8.mol

Synonyms:40418-44-8;Potassium Glutaconate;potassium (1E,3E)-5-oxopenta-1,3-dien-1-olate;potassium;(1E,3E)-5-oxopenta-1,3-dien-1-olate;DTXSID20422149;GLUTACON DIALDEHYDE POTASSIUM SALT;(2E,4E)-5-(Potassiooxy)-2,4-pentadienal;potassium(1E,3E)-5-oxopenta-1,3-dien-1-olate

Chemical Property of potassium (1E,3E)-5-oxopenta-1,3-dien-1-olate

Chemical Property:

• PSA: 40.13000
• LogP: 0.68570
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 135.99266088
• Heavy Atom Count: 8
• Complexity: 96.6

Purity/Quality:

97% ^*data from raw suppliers

Potassium glutaconate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=CC=O)C=C[O-].[K+]
• Isomeric SMILES: C(=C/C=O)\C=C\[O-].[K+]
• Uses: Potassium Glutaconate (cas# 40418-44-8) is a compound useful in organic synthesis.

Technology Process of potassium (1E,3E)-5-oxopenta-1,3-dien-1-olate

There total 3 articles about potassium (1E,3E)-5-oxopenta-1,3-dien-1-olate 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: 93.0%

Zincke aldehyde (4688-60-2,39787-32-1) → (2E,4E)-5-hydroxypenta-2,4-dienal potassium salt (40418-44-8)

Guidance literature:

With methanol; potassium hydroxide; In tetrahydrofuran; for 5h; Inert atmosphere; Reflux;

DOI:10.1055/s-0029-1217105

Reference yield: 68.0%

pyridine-SO3 complex (42824-16-8) → (2E,4E)-5-hydroxypenta-2,4-dienal potassium salt (40418-44-8)

Guidance literature:

With potassium hydroxide; In water; at -20 - 25 ℃; for 7h; Inert atmosphere; Schlenk technique;

DOI:10.1039/d0ob01745k

Reference yield: 58.0%

sulfur trioxide pyridine complex (26412-87-3) → (2E,4E)-5-hydroxypenta-2,4-dienal potassium salt (40418-44-8)

Guidance literature:

With potassium hydroxide; at -20 - 35 ℃;

DOI:10.1021/jo981107w

upstream raw materials:

sulfur trioxide pyridine complex

Zincke aldehyde

pyridine-SO₃ complex

Downstream raw materials:

5-(2,4,6-trimethylbenzoyloxy)-2E,4E-pentadienal

(2E,4E)-5-(benzylamino)penta-2,4-dienal

(2E,4E)-5-(dibenzylamino)penta-2,4-dienal

neuroprotectin D1