5-Methyl-4-hexenoic acid

Base Information

• Chemical Name: 5-Methyl-4-hexenoic acid
• CAS No.: 5636-65-7
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 2916190090
• European Community (EC) Number: 857-524-5
• UNII: 1V08PR1DQO
• Nikkaji Number: J558.386A
• Mol file: 5636-65-7.mol

Synonyms:5-Methylhex-4-enoic acid;5636-65-7;5-METHYL-4-HEXENOIC ACID;4-Hexenoic acid, 5-methyl-;1V08PR1DQO;prenylacetic acid;5-Methylhex-4-enoicacid;UNII-1V08PR1DQO;SCHEMBL586253;.GAMMA.-ISOHEPTENOIC ACID;YJJLHGCCADOOPZ-UHFFFAOYSA-N;MFCD03425847;AKOS006278912;AS-58280;EN300-109890;F16793;F8885-2839;Z1198162635

Chemical Property of 5-Methyl-4-hexenoic acid

Chemical Property:

• Vapor Pressure: 0.052mmHg at 25°C
• Melting Point: -28°C
• Refractive Index: 1.4504
• Boiling Point: 218.3°Cat760mmHg
• PKA: pK1:4.8 (25°C)
• Flash Point: 115.7°C
• PSA: 37.30000
• Density: 0.965g/cm³
• LogP: 1.81740
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

5-Methylhex-4-enoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=O)O)C
• Uses: 5-Methylhex-4-enoic acid is used as a reactant in the preparation of 5-fluoromethyl-substituted γ-lactams.

Technology Process of 5-Methyl-4-hexenoic acid

There total 8 articles about 5-Methyl-4-hexenoic 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: 78.0%

7-Methyl-3-oxo-2-(triphenyl-λ5-phosphanylidene)-oct-6-enoic acid ethyl ester (83269-74-3) → 5-methyl-4-hexenoic acid (5636-65-7) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With sodium hydroxide; sodium hypochlorite; In acetonitrile; 1) 0 degC, 2,5 h, 2) 25 degC, 2 h;

DOI:10.1021/jo00153a027

Reference yield:

chloroacetic acid ethyl ester (105-39-5) → 5-methyl-4-hexenoic acid (5636-65-7) + 4-oxopentanoic acid ethyl ester (539-88-8)

Guidance literature:

nachfolgendes Verseifen des entstehenden Aethylesters mit alkoh.Kalilauge;

Reference yield:

→ 6-Methyl-hept-5-en-2-on (110-93-0,129085-68-3) + 5-methyl-4-hexenoic acid (5636-65-7)

Guidance literature:

With barium dihydroxide;

upstream raw materials:

glutaric anhydride,

methyl magnesium iodide

diethyl ether

acrylic acid

Downstream raw materials:

6,6-dimethyltetrahydro-2H-pyran-2-one

5-methyl-hex-4-enoic acid-(4-bromo-phenacyl ester)

5-<1-methyl-1-(phenylseleno)ethyl>tetrahydrofuran-2-one

5-methylhex-4-ene-1-ol