2-Hexyldec-2-enal

Base Information

• Chemical Name: 2-Hexyldec-2-enal
• CAS No.: 13893-39-5
• Molecular Formula: C16H30 O
• Molecular Weight: 238.414
• European Community (EC) Number: 866-257-3
• DSSTox Substance ID: DTXSID60930253
• Mol file: 13893-39-5.mol

Synonyms:2-HEXYLDEC-2-ENAL;13893-39-5;2-Decenal, 2-hexyl-;SCHEMBL1300696;DTXSID60930253

Chemical Property of 2-Hexyldec-2-enal

Chemical Property:

• Boiling Point: 148-149 °C(Press: 5 Torr)
• PSA: 17.07000
• Density: 0.8483 g/cm3
• LogP: 5.44260
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 238.229665576
• Heavy Atom Count: 17
• Complexity: 194

Purity/Quality:

99%min ^*data from raw suppliers

2-Hexyl-2-decenal natural (US), mixture of cis and trans, ≥95%, stabilized ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC=C(CCCCCC)C=O

Technology Process of 2-Hexyldec-2-enal

There total 18 articles about 2-Hexyldec-2-enal 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: 90.0%

2-hexyldec-2Z-en-1-ol (74612-64-9) → 2-hexyldec-2-enal (13893-39-5)

Guidance literature:

With manganese(IV) oxide;

DOI:10.1007/BF00948516

Reference yield: 72.6%

Octanal (124-13-0) → 2-hexyldec-2-enal (13893-39-5)

Guidance literature:

With Ti₂Cl₂(OPrⁱ)₆*2HOPrⁱ; In toluene; at 80 ℃; for 13h;

DOI:10.1016/j.tet.2016.01.055

Reference yield: 52.0%

Octanal (124-13-0) + 1-bromo-4-tert-butylbenzene (3972-65-4) → 2-hexyldec-2-enal (13893-39-5) + 2-(4-tert-butylphenyl)octanal (1024039-09-5)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]chloro(allyl)palladium; potassium tert-butylate; In 1,4-dioxane; at 80 ℃; for 22h; Glovebox; Schlenk technique; Inert atmosphere;

DOI:10.1002/asia.201300724

upstream raw materials:

Octanal

sodium ethanolate

morpholine

2-hexyldec-2Z-en-1-ol

Refernces

• 1、 Prokof'ev, E. P.,Grigor'eva, N. Ya.,Semenovskii, A. V.. "DETERMINATION OF THE Z, E CONFIGURATION OF FUNCTIONALLY TRISUBSTITUTED OLEFINS BY 13C NMR". . p. 586 - 590. Retrieved 1980.
• 2、 Moshonas,Lund. "". . p. 802. Retrieved 1969.
• 3、 Damilano, Giacomo,Binnemans, Koen,Dehaen, Wim. "Synthesis of Guerbet ionic liquids and extractants as β-branched biosourceable hydrophobes". supporting information. p. 9778 - 9791. Retrieved 2019/12/02.
• 4、 Khusnutdinov,Shchadneva,Mayakova, Yu. Yu.. "Vanadium-Catalyzed Condensation of Ethyl Cyanoacetate with Ketones". . p. 403 - 409. Retrieved 2018/04/24.