Dodecanal dimethyl acetal

Base Information

• Chemical Name: Dodecanal dimethyl acetal
• CAS No.: 14620-52-1
• Molecular Formula: C14H30O2
• Molecular Weight: 230.391
• Hs Code.: 2911000000
• European Community (EC) Number: 238-659-3
• UNII: 384YJ7FK35
• DSSTox Substance ID: DTXSID8065797
• Nikkaji Number: J121.647C
• Wikidata: Q27256737
• Metabolomics Workbench ID: 45362
• Mol file: 14620-52-1.mol

Synonyms:dodecanal dimethyl acetal

Chemical Property of Dodecanal dimethyl acetal

Chemical Property:

• Vapor Pressure: 0.0149mmHg at 25°C
• Refractive Index: 1.429
• Boiling Point: 265.6 °C at 760 mmHg
• Flash Point: 72.7 °C
• PSA: 18.46000
• Density: 0.844 g/cm³
• LogP: 4.52620
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 230.224580195
• Heavy Atom Count: 16
• Complexity: 122

Purity/Quality:

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

Dodecanal Dimethyl Acetal >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(OC)OC

Technology Process of Dodecanal dimethyl acetal

There total 12 articles about Dodecanal dimethyl acetal 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%

methanol (67-56-1) + Dodecanal (112-54-9) → 1,1-dimethoxy-dodecane (14620-52-1)

Guidance literature:

With N-chloro-succinimide; thiourea; at 23 ℃; for 0.75h;

DOI:10.1016/j.tetlet.2009.01.006

Reference yield: 72.0%

methanol (67-56-1) + (2E)-dodec-2-en-1-ol (22104-81-0,69064-36-4,69064-37-5) → 1,1-dimethoxy-dodecane (14620-52-1)

Guidance literature:

RuCl(PPh₃)3⁽¹⁺⁾*PF₆^(1-); Heating;

DOI:10.1002/1099-0690(200108)2001:16<3141::AID-EJOC3141>3.0.CO;2-Y

Reference yield: 71.0%

tetradec-2-en-2-ylbenzene (94681-69-3) → 1,1-dimethoxy-dodecane (14620-52-1) + acetophenone (98-86-2)

Guidance literature:

With oxygen; Mn(dtbpy)₂(OTf)₂; In methanol; 2,2,2-trifluoroethanol; at 20 ℃; for 12h; under 760.051 Torr; Schlenk technique; Irradiation;

DOI:10.1021/jacs.1c05757

upstream raw materials:

methanol

Dodecanal

3'-(1E/Z-Dodecaenyloxy)-1,2-propanediol

trimethyl orthoformate

Downstream raw materials:

1-phenyldodecan-1-ol

(1-methoxydodecyl)triphenylphosphonium trifluoromethanesulfonate

n-dodecyl methyl ether

1-{8-[4-(5-decylpyrimidin-2-yl)phenoxy]octyl}-3-[4-(dodecyloxy)phenyl]imidazolium bromide

Refernces

• 1、 Bennett, Elliot L.,Brookfield, Adam,Guan, Renpeng,Huang, Zhiliang,Mcinnes, Eric J. L.,Robertson, Craig M.,Shanmugam, Muralidharan,Xiao, Jianliang. "Oxidative Cleavage of Alkenes by O2with a Non-Heme Manganese Catalyst". . p. 10005 - 10013. Retrieved 2021/07/19.
• 2、 Maegawa, Tomohiro,Otake, Kazuki,Goto, Akihiro,Fujioka, Hiromichi. "Direct conversion of acetals to esters with high regioselectivity via O,P-acetals". supporting information; experimental part. p. 5648 - 5651. Retrieved 2011/09/15.