2-Methyl-2-pentenal

Base Information

• Chemical Name: 2-Methyl-2-pentenal
• CAS No.: 14250-96-5
• Molecular Formula: C₆H₁₀O
• Molecular Weight: 98.1448
• European Community (EC) Number: 210-789-5,678-608-6
• NSC Number: 9464
• UNII: 98QAG1U530
• DSSTox Substance ID: DTXSID90884735
• Nikkaji Number: J208.734K,J34.532F
• Wikidata: Q27272137
• Metabolomics Workbench ID: 127695
• ChEMBL ID: CHEMBL2270062
• Mol file: 14250-96-5.mol

Synonyms:2-methyl-2-pentenal

Chemical Property of 2-Methyl-2-pentenal

Chemical Property:

• Vapor Pressure: 7.34mmHg at 25°C
• Melting Point: -90°C
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 136.548 °C at 760 mmHg
• Flash Point: 31.667 °C
• PSA: 17.07000
• Density: 0.83 g/cm³
• LogP: 1.54160
• Water Solubility.: Slightly soluble in water
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 82.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans-2-Methyl-2-pentenal >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-2-pentenal

There total 76 articles about 2-Methyl-2-pentenal 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: 93.0%

methyl trans-3,3-dimethyl-2-formyl-cyclopropane-1-carboxylate (62138-41-4) + propionaldehyde (123-38-6) → 2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9) + methyl trans-2,2-dimethyl-3-(2'-formyl-1'-propenyl)-cyclopropanecarboxylate (769945-93-9)

Guidance literature:

With pyrrolidine; acetic acid; In water; toluene; at 55 ℃; for 11h; Product distribution / selectivity;

Reference yield: 91.0%

propionaldehyde (123-38-6) → 2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9)

Guidance literature:

With sodium hydroxide; In water; at 60 ℃; for 1.5h;

DOI:10.1039/c5gc00020c

Reference yield: 79.0%

2-methyl-pent-2-en-1-ol (1610-29-3) → 2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In neat (no solvent); at 20 ℃; for 1.5h; Milling;

DOI:10.1039/c4ra00415a

upstream raw materials:

propan-1-ol

3-hydroxyl-2-methylpentanal

optically inactive (6-hydroxy-3.5-dimethyl-2-phenyl-cyclohexen-⁽⁴⁾-yl)-phenyl ketone

allyl-trimethyl-ammonium; hydroxide

Downstream raw materials:

3-ethyl-2-methyl-5-oxo-4,5-diphenyl-valeric acid

4-ethyl-3-methyl-5,6-diphenyl-tetrahydro-pyran-2-one

cyclohexyl-(2-methyl-pent-2-enyliden)-amine

2-methyl-pent-2-enal-phenylhydrazone

Refernces

• 1、 Rodrigues,Keller,Mitchell,Prez-Ramrez. "Hydroxyapatite, an exceptional catalyst for the gas-phase deoxygenation of bio-oil by aldol condensation". . p. 4870 - 4874. Retrieved 2014.
• 2、 Stahl,Cottle. "-". . p. 1782. Retrieved 1943.
• 3、 Afewerki, Samson,Córdova, Armando,Ibrahem, Ismail,Ma, Guangning,Zhang, Kaiheng. "Accelerating Amine-Catalyzed Asymmetric Reactions by Intermolecular Cooperative Thiourea/Oxime Hydrogen-Bond Catalysis". supporting information. p. 3043 - 3049. Retrieved 2021/07/22.
• 4、 Afaunov, A. A.,Bruk, L. G.,Flid, V. R.,Martsinkevich, E. M.. "Heterogeneous catalytic condensation of propanal". . p. 2031 - 2033. Retrieved 2021/11/04.