5-METHYL-HEX-5-ENOIC ACID

Base Information

• Chemical Name: 5-METHYL-HEX-5-ENOIC ACID
• CAS No.: 55170-74-6
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 2916190090
• Mol file: 55170-74-6.mol

Synonyms:5-METHYL-HEX-5-ENOIC ACID;5-METHYL-5-HEXENOIC ACID

Chemical Property of 5-METHYL-HEX-5-ENOIC ACID

Chemical Property:

• Vapor Pressure: 0.0428mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 220.3°C at 760 mmHg
• PKA: 4.77±0.10(Predicted)
• Flash Point: 117.7°C
• PSA: 37.30000
• Density: 0.959g/cm³
• LogP: 1.81740

Purity/Quality:

97% ^*data from raw suppliers

5-Methylhex-5-enoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-METHYL-HEX-5-ENOIC ACID

There total 26 articles about 5-METHYL-HEX-5-ENOIC 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: 96.0%

Methyl 5-methyl-5-hexenoate (32853-30-8) → 5-methylhex-5-enoic acid (55170-74-6)

Guidance literature:

Methyl 5-methyl-5-hexenoate; With sodium hydroxide; In ethanol; water; for 3h; Inert atmosphere; Reflux;

With hydrogenchloride; water; Inert atmosphere;

DOI:10.1246/bcsj.80.1597

Reference yield: 95.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 5-ketohexanoic acid (3128-06-1) → 5-methylhex-5-enoic acid (55170-74-6)

Guidance literature:

With n-butyllithium; sodium hydride; In tetrahydrofuran; at 0 ℃; for 16h; Inert atmosphere;

DOI:10.1002/ejoc.201402736

Reference yield: 79.0%

2-(3-methyl-3-buten-1-yl)malonic acid (343271-32-9) → 5-methylhex-5-enoic acid (55170-74-6)

Guidance literature:

With pyridine; In water; at 150 ℃;

DOI:10.1021/acs.orglett.7b03668

upstream raw materials:

ethyl 5-oxohexanoate

propionic acid

acrylic acid

tert-butyl alcohol

Downstream raw materials:

2-methyl-1-hexene

6-bromo-2-methyl-1-hexene

5-methyl-N-tosylhex-5-enamideo

(+/-)-5-methyl-1-phenylhex-5-en-1-ol

Refernces

• 1、 Kobayashi, Toyoharu,Tanaka, Konomi,Ishida, Masako,Yamakita, Natsumi,Abe, Hideki,Ito, Hisanaka. "Asymmetric total synthesis of pleurospiroketals A and B". . p. 10316 - 10319. Retrieved 2018.
• 2、 -. "CANNABINOID DERIVATIVES AND PRECURSORS, AND ASYMMETRIC SYNTHESIS FOR SAME". Page/Page column 59. . Retrieved 2021/03/19.