(E)-5-METHYL-HEX-2-ENOIC ACID

Base Information

• Chemical Name: (E)-5-METHYL-HEX-2-ENOIC ACID
• CAS No.: 41653-96-7
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 2916190090
• Mol file: 41653-96-7.mol

Synonyms:5-methylhex-2-enoic acid;(E)-5-METHYL-HEX-2-ENOIC ACID;2-Hexenoic acid, 5-methyl-;(E)-5-methyl-2-hexenoic acid;5-Methyl-2-hexenoic Acid;5-methyl-hex-2-en-1-oic acid;trans-5-methylhex-2-enoic acid;

Chemical Property of (E)-5-METHYL-HEX-2-ENOIC ACID

Chemical Property:

• Melting Point: 16.5°C
• Refractive Index: 1.4425
• Boiling Point: 82oC/1mmHg
• PSA: 37.30000
• Density: 0.9420
• LogP: 1.67330

Purity/Quality:

99%min ^*data from raw suppliers

5-Methyl-2-hex-2-enoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5-Methyl-2-hexenoic acid can be used as a useful synthetic intermediate.

Technology Process of (E)-5-METHYL-HEX-2-ENOIC ACID

There total 34 articles about (E)-5-METHYL-HEX-2-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: 98.0%

malonic acid (141-82-2) + isovaleraldehyde (590-86-3) → 5-methyl-2-hexenoic acid (41653-96-7)

Guidance literature:

With choline chloride; urea; at 80 ℃;

Reference yield: 91.0%

ethyl (E)-5-methylhex-2-enoate (34993-63-0) → (E)-5-methyl-2-hexenoic acid (41653-96-7,51424-01-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water;

DOI:10.1016/S0040-4020(01)00641-X

Reference yield: 86.0%

malonic acid (141-82-2) + isovaleraldehyde (590-86-3) → (E)-5-methyl-2-hexenoic acid (41653-96-7,51424-01-2)

Guidance literature:

With pyrrolidine; pyridine; at 0 - 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.7b02341

upstream raw materials:

(Z)-2-methyl-2-hexenoic acid

3-hydroxy-5-methylhexanoic acid

malonic acid

acetic anhydride

Downstream raw materials:

5-methyl-2-hexenoic acid ethyl ester

(E)-methyl 5-methyl-2-hexenoate

N-benzyl-N-(3-oxo-3-phenylpropyl)-(E)-5-methylhex-2-enamide

(3S,4S)-4-(2'-methylprop-1'-yl)-3-pyrrolidine carboxylic acid

Refernces

• 1、 Wang, Zhen,Hu, Liang,Chekshin, Nikita,Zhuang, Zhe,Qian, Shaoqun,Qiao, Jennifer X.,Yu, Jin-Quan. "Ligand-controlled divergent dehydrogenative reactions of carboxylic acids via C–H activation". . p. 1281 - 1285. Retrieved 2021/12/10.
• 2、 -. "Method for preparing 5-methyl-2-hexenoic acid". Paragraph 0021-0041. . Retrieved 2019/09/13.