2,4-Heptadienoic acid

Base Information

• Chemical Name: 2,4-Heptadienoic acid
• CAS No.: 17175-86-9
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• UNII: SGE8IQ4R52
• Nikkaji Number: J1.676.415I
• Wikidata: Q27289199
• Mol file: 17175-86-9.mol

Synonyms:2,4-Heptadienoic acid;(2E,4E)-hepta-2,4-dienoic acid;UNII-SGE8IQ4R52;SGE8IQ4R52;2,4-Heptadienoic acid, (2E,4E)-;65518-46-9;hepta-2,4-dienoic acid;17175-86-9;UNII-0D6LAR35HU;0D6LAR35HU;SCHEMBL96605;(2E,4E)-2,4-heptadienoic acid;AKOS022633212;EN300-1828440;EN300-2394705;Q27289199

Chemical Property of 2,4-Heptadienoic acid

Chemical Property:

• Vapor Pressure: 0.00841mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 247.2 °C at 760 mmHg
• Flash Point: 154.1 °C
• PSA: 37.30000
• Density: 1.001 g/cm³
• LogP: 1.59340
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Heptadienoic acid

There total 10 articles about 2,4-Heptadienoic 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: 95.0%

(2E,4E)-Hepta-2,4-dienoic acid methyl ester (39924-42-0,56424-97-6,88399-99-9) → (2E,4E)-Hepta-2,4-dienoic acid (17175-86-9,50915-66-7,65518-46-9)

Guidance literature:

With potassium hydroxide; In methanol; for 12h; Ambient temperature;

DOI:10.1055/s-1987-27905

Reference yield: 93.0%

ethylfurfuryl alcohol (4208-61-1,119619-55-5,127418-31-9,128948-40-3) → 2,4-heptadienoic acid (17175-86-9)

Guidance literature:

With palladium(II) nitrate hydrate; oxygen; nitric acid; cetyltrimethylammonium chloride; sodium sulfate; In cyclohexane; at 50 ℃; for 12h; under 3750.38 Torr; pH=4.5; Reagent/catalyst; pH-value; Solvent; Temperature; Sealed tube; Autoclave;

Reference yield: 87.0%

hepta-2,4-dienal (5910-85-0) → 2,4-heptadienoic acid (17175-86-9)

Guidance literature:

With potassium hydroxide; silver nitrate; In ethanol; water; Ambient temperature;

upstream raw materials:

hepta-2,4-dienal

2-hexenoic acid

2-hexenal

hex-3-enoic acid

Downstream raw materials:

2-methylphenyl acetate

Refernces

• 1、 Tsunematsu, Yuta,Fukutomi, Manami,Saruwatari, Takayoshi,Noguchi, Hiroshi,Hotta, Kinya,Tang, Yi,Watanabe, Kenji. "Elucidation of pseurotin biosynthetic pathway points to trans-acting C-methyltransferase: Generation of chemical diversity". supporting information. p. 8475 - 8479. Retrieved 2014/08/18.
• 2、 Zimmermann, Birgit,Lerche, Holger,Severin, Theodor. "Preparation of Methine Homologues of Aldehydes and Carboxylic Acids". . p. 2848 - 2858. Retrieved 2007/10/02.