ETHYL 5-METHYL-5-HEXENOATE

Base Information

• Chemical Name: ETHYL 5-METHYL-5-HEXENOATE
• CAS No.: 39495-82-4
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.225
• Hs Code.: 2916190090
• Mol file: 39495-82-4.mol

Synonyms:Ethyl5-methyl-5-hexenoate

Chemical Property of ETHYL 5-METHYL-5-HEXENOATE

Chemical Property:

• Vapor Pressure: 0.504mmHg at 25°C
• Refractive Index: 1.427
• Boiling Point: 191.8°Cat760mmHg
• Flash Point: 70.6°C
• PSA: 26.30000
• Density: 0.89g/cm³
• LogP: 2.29590
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 5-methylhex-5-enoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 5-Methyl-5-hexenoate is used in preparation of Isoxazoline compounds. It is also, used in activation of primary and secondary Benzylic and tertiary alkyl (sp3)C-F bonds inside a self-assembled molecular container.

Technology Process of ETHYL 5-METHYL-5-HEXENOATE

There total 12 articles about ETHYL 5-METHYL-5-HEXENOATE 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: 57.0%

4-mesyloxy-2-methylbutene (80352-66-5) + diethyl malonate (105-53-3) → ethyl 5-methyl-hex-5-enoate (39495-82-4)

Guidance literature:

diethyl malonate; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

4-mesyloxy-2-methylbutene; In tetrahydrofuran; for 12h; Inert atmosphere; Reflux;

With sodium chloride; In water; dimethyl sulfoxide; at 180 - 200 ℃; for 12h;

DOI:10.1021/acs.joc.5b00206

Reference yield: 51.6%

isobutene (115-11-7,15220-85-6) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 5-methyl-hex-5-enoate (39495-82-4)

Guidance literature:

With aluminum (III) chloride; tungsten(VI) chloride; In benzene; at 30 ℃; for 76h; Temperature; Reagent/catalyst;

Reference yield: 15.0%

5-Methanesulfonyl-5-trifluoromethanesulfonyl-hexanoic acid ethyl ester → ethyl 5-methyl-hex-5-enoate (39495-82-4) + 2-methyl-2-(3-carbethoxypropyl)-1,3-dithietane 1,1,3,3-tetraoxide

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1021/ja00269a037

upstream raw materials:

2-Methylcyclopentanone

ethanol

dimethyl sulfoxide

isobutene

Downstream raw materials:

5-methylhex-5-enoic acid

ethyl 5-oxohexanoate

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