2-Methylene-octanal

Base Information

• Chemical Name: 2-Methylene-octanal
• CAS No.: 22414-64-8
• Molecular Formula: C9H16 O
• Molecular Weight: 140.225
• European Community (EC) Number: 607-067-0
• DSSTox Substance ID: DTXSID90458617
• Nikkaji Number: J1.414.460I
• Wikidata: Q82282054
• Mol file: 22414-64-8.mol

Synonyms:2-METHYLENE-OCTANAL;2-methylideneoctanal;22414-64-8;2-hexyl-2-propenal;2-hexylacrolein;a-methylene octanal;2-methylene octanal;SCHEMBL182420;DTXSID90458617;KWUBTLAZZWBMRT-UHFFFAOYSA-N;AKOS006330566

Chemical Property of 2-Methylene-octanal

Chemical Property:

• Vapor Pressure: 0.309mmHg at 25°C
• Refractive Index: 1.427
• Boiling Point: 201.4°C at 760 mmHg
• Flash Point: 69.5°C
• PSA: 17.07000
• Density: 0.828g/cm³
• LogP: 2.71190
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99%min ^*data from raw suppliers

2-METHYLENE-OCTANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=C)C=O

Technology Process of 2-Methylene-octanal

There total 10 articles about 2-Methylene-octanal 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: 92.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Octanal (124-13-0) → 2-methylene-octanal (22414-64-8)

Guidance literature:

With pyrrolidine; propionic acid; In water; isopropyl alcohol; at 45 ℃; for 4h;

DOI:10.1021/jo052529q

Reference yield: 79.0%

2,2-dimethyl-5-hexyl-4H-1,3-dioxin (330435-59-1) → 2-methylene-octanal (22414-64-8)

Guidance literature:

With hydroquinone; In chloroform-d1; at 115 ℃; for 3h;

DOI:10.1016/S0040-4020(00)00872-3

Reference yield: 71.0%

2-(bromomethyl)oct-1-ene (71186-14-6) → 2-methylene-octanal (22414-64-8)

Guidance literature:

With sodium hydrogencarbonate; In dimethyl sulfoxide; at 20 ℃; for 48h;

DOI:10.1016/j.tetasy.2006.11.005

upstream raw materials:

formaldehyd

Octanal

formic acid

2,2-dimethyl-5-hexyl-4H-1,3-dioxin

Refernces

• 1、 Mustard, Thomas J. L.,MacK, Daniel J.,Njardarson, Jon T.,Cheong, Paul Ha-Yeon. "Mechanism and the origins of stereospecificity in copper-catalyzed ring expansion of vinyl oxiranes: A traceless dual transition-metal-mediated process". . p. 1471 - 1475. Retrieved 2013.
• 2、 Kato, Ranmaru,Saito, Hiroki,Uda, Shoko,Domon, Daisuke,Ikeuchi, Kazutada,Suzuki, Takahiro,Tanino, Keiji. "Synthesis of Seven-Membered Cross-Conjugated Cyclic Trienes by 8πElectrocyclic Reaction". supporting information. p. 8878 - 8882. Retrieved 2021/11/17.
• 3、 Singh, Sarbjit,Gajulapati, Veeraswamy,Gajulapati, Kondaji,Goo, Ja-Il,Park, Yeon-Hwa,Jung, Hwa Young,Lee, Sung Yoon,Choi, Jung Ho,Kim, Young Kook,Lee, Kyeong,Heo, Tae-Hwe,Choi, Yongseok. "Structure-activity relationship study of a series of novel oxazolidinone derivatives as IL-6 signaling blockers". supporting information. p. 1282 - 1286. Retrieved 2016/02/23.