(Z)-4-Methylpent-2-enoic acid

Base Information

• Chemical Name: (Z)-4-Methylpent-2-enoic acid
• CAS No.: 1775-44-6
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• Hs Code.: 2916190090
• European Community (EC) Number: 233-706-4
• UNII: KY5233C28H
• Nikkaji Number: J594.648D
• Wikidata: Q27282498
• Mol file: 1775-44-6.mol

Synonyms:(Z)-4-Methylpent-2-enoic acid;(Z)-4-Methyl-2-pentenoic acid;1775-44-6;4-Methyl-2-pentenoic acid, (2Z)-;FEMA No. 4180, z-;2-Pentenoic acid, 4-methyl-, (Z)-;2-Pentenoic acid, 4-methyl-, (2Z)-;(2Z)-4-methylpent-2-enoic acid;KY5233C28H;4-methylpent-2-enoic acid;4-Methylpent-2-en-1-oic acid;UNII-KY5233C28H;3-isopropylacrylic acid;SCHEMBL12714083;cis-4-methyl-pent-2-enoic acid;(2Z)-4-methyl-2-pentenoic acid;4-Methyl-(2E)-2-pentenoic acid;LMFA01030985;Q27282498

Chemical Property of (Z)-4-Methylpent-2-enoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 1.28320
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (Z)-4-Methylpent-2-enoic acid

There total 13 articles about (Z)-4-Methylpent-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) + isobutyraldehyde (78-84-2) → (2E)-4-methylpent-2-enoic acid (1775-44-6,10321-71-8,16666-43-6)

Guidance literature:

With morpholine; pyridine; at 115 ℃; for 36h;

Reference yield: 85.1%

→ (2E)-4-methylpent-2-enoic acid (1775-44-6,10321-71-8,16666-43-6)

Guidance literature:

Reference yield: 84.0%

diethylphosphonoacetic acid (3095-95-2) + isobutyraldehyde (78-84-2) → (2E)-4-methylpent-2-enoic acid (1775-44-6,10321-71-8,16666-43-6)

Guidance literature:

diethylphosphonoacetic acid; With n-butyllithium; In tetrahydrofuran; hexane; at -70 - -65 ℃;

isobutyraldehyde; In tetrahydrofuran; hexane; at -70 ℃; for 2h;

DOI:10.1021/jm049762l

upstream raw materials:

diethylphosphonoacetic acid

isobutyraldehyde

(E)-4-isopropylbut-3-en-2-one

methyl (2E)-4-methylpent-2-enoate

Downstream raw materials:

(E)-4-Methyl-pent-2-enoic acid {2-[4-(3-cyclohexyl-2-imino-imidazolidine-1-sulfonyl)-phenyl]-ethyl}-amide

3-(3R,4-dimethylpentanoyl)-4R-phenyloxazolidin-2-one

(3R)-(2-acetoxy-1R-phenylethylcarbamoyl)-4S,5-dimethylhexanoic acid tert-butyl ester

(2S,3S)-1-((1R,5R,6R)-6-Hydroxymethyl-5-isopropyl-2-methyl-cyclohex-2-enyl)-3-methyl-pent-4-yne-2,3-diol