2-Pentenoic acid, 4-methyl-

Base Information

• Chemical Name: 2-Pentenoic acid, 4-methyl-
• CAS No.: 10321-71-8
• Molecular Formula: C6H10 O2
• Molecular Weight: 114.144
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID3065035
• Mol file: 10321-71-8.mol

Synonyms:2-Pentenoic acid, 4-methyl-;4-methyl-pent-2-enoic acid;isohexenoic acid;DTXSID3065035;AKOS028108486;FT-0636678;FT-0690522

Chemical Property of 2-Pentenoic acid, 4-methyl-

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.052mmHg at 25°C
• Melting Point: 35°C
• Refractive Index: 1.447-1.449
• Boiling Point: 217°Cat760mmHg
• PKA: pK1:4.70 (25°C)
• Flash Point: 106°C
• PSA: 37.30000
• Density: 0.982g/cm³
• LogP: 1.28320
• Storage Temp.: Refrigerator
• Water Solubility.: Slightly soluble in water. Soluble in acetone, ether, ethanol.
• 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%,99%, ^*data from raw suppliers

4-Methyl-2-pentenoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34-22-36
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=CC(=O)O
• Uses: 4-Methyl-2-pentenoic Acid is useful in the development of photosensitive resin held to obtain an epoxy resin having a maleimide structure.

Technology Process of 2-Pentenoic acid, 4-methyl-

There total 28 articles about 2-Pentenoic acid, 4-methyl- 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: 99.0%

malonic acid (141-82-2) + isobutyraldehyde (78-84-2) → 4-methyl-pent-2-enoic acid (10321-71-8)

Guidance literature:

With pyridine; glycine; at 80 ℃; for 2h; under 760.051 Torr;

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:

upstream raw materials:

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

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

malonic acid

isobutyraldehyde

Downstream raw materials:

4-Methylpentanoic acid

(3'S,4S)-3-[3'-(4''-methoxyphenyl)-4'-methylpentanoyl]-4-phenyloxazolidin-2-one

(2S,3R)-2-azido-3-(4'-methoxyphenyl)-4-methylpentanoic acid

(2R,3R)-2-azido-3-(4'-methoxyphenyl)-4-methylpentanoic acid

Refernces

• 1、 Kumar, H.M. Sampath,Reddy, B.V. Subba,Reddy, E. Jagan,Yadav. "SiO2 catalysed expedient synthesis of [E]-3-alkenoic acids in dry media". . p. 2401 - 2404. Retrieved 1999.
• 2、 Zhu, Lingjian,Lei, Ning,Miao, Zhenyuan,Sheng, Chunquan,Zhuang, Chunlin,Yao, Jianzhong,Zhang, Wannian. "β-alanine-DBU: A highly efficient catalytic system for knoevenagel-doebner reaction under mild conditions". . p. 139 - 143. Retrieved 2012.
• 3、 Hayashi,K. et al.. "-". . p. 1167 - 1170. Retrieved 1961.
• 4、 Bigley, David B.,Fetter, Clive L.,Clarke, Michael J.. "Studies in Decarboxylation. Part 13. The Incursion of a Stepwise Mechanism in the Gas-phase Decarboxylation of Cyclopropylacetic Acids". . p. 553 - 556. Retrieved 1980.
• 5、 Pirrung,Han,Ludwig. "Inhibitors of Thermus thermophilus isopropylmalate dehydrogenase". . p. 2430 - 2436. Retrieved 1994.
• 6、 Caspi,E.,Varma,K.R.. "-". . p. 2181 - 2188. Retrieved 1968.
• 7、 Heindl, Sebastian,Lemmerer, Miran,Malzer, Nicolas,Matyasovsky, Ján,Maulide, Nuno,Riomet, Margaux. "Chemoselective γ-Oxidation of β,γ-Unsaturated Amides with TEMPO". . p. 19123 - 19127. Retrieved 2021.
• 8、 -. "RAS INHIBITORS". Paragraph 1636-1637. . Retrieved 2021/05/07.