15-Nonacosanol

Base Information

• Chemical Name: 15-Nonacosanol
• CAS No.: 2764-81-0
• Molecular Formula: C29H60O
• Molecular Weight: 424.795
• DSSTox Substance ID: DTXSID101317297
• Metabolomics Workbench ID: 45931
• Nikkaji Number: J1.711.712B
• Wikidata: Q105140063
• Mol file: 2764-81-0.mol

Synonyms:15-Nonacosanol;nonacosan-15-ol;2764-81-0;dimyristyl methanol;SCHEMBL2332505;CHEBI:184816;DTXSID101317297;LMFA05000592;AKOS025289313

Chemical Property of 15-Nonacosanol

Chemical Property:

• Melting Point: 85 - 87 °C (acetone)
• Boiling Point: 463.0±13.0 °C(Predicted)
• PKA: 15.22±0.20(Predicted)
• PSA: 20.23000
• Density: 0.840±0.06 g/cm3(Predicted)
• LogP: 10.52970
• XLogP3: 14
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 26
• Exact Mass: 424.464416533
• Heavy Atom Count: 30
• Complexity: 260

Purity/Quality:

95% ^*data from raw suppliers

15-Nonacosanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O

Technology Process of 15-Nonacosanol

There total 5 articles about 15-Nonacosanol 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: 55.0%

1-Bromotetradecane (112-71-0) + formic acid ethyl ester (109-94-4) → bis(tetradecyl)carbinol (2764-81-0)

Guidance literature:

1-Bromotetradecane; With iodine; magnesium; In diethyl ether; for 30h; Heating;

formic acid ethyl ester; In diethyl ether; for 1h; Further stages.; Heating;

DOI:10.1002/1099-0690(200204)2002:7<1271::AID-EJOC1271>3.0.CO;2-G

Reference yield: 35.9%

1-Bromotetradecane (112-71-0) → bis(tetradecyl)carbinol (2764-81-0)

Guidance literature:

1-Bromotetradecane; With magnesium; 1,1-dibromomethane; In diethyl ether; at 20 - 40 ℃; for 2h; Inert atmosphere;

With formic acid ethyl ester; In diethyl ether; at 10 ℃; for 1h; Further stages;

Reference yield:

1-Bromotetradecane (112-71-0) + formic acid ethyl ester (109-94-4) → bis(tetradecyl)carbinol (2764-81-0) + C30H60O2

Guidance literature:

1-Bromotetradecane; With magnesium; 1,1-dibromomethane; In diethyl ether; at 20 - 40 ℃; for 2h; Inert atmosphere;

formic acid ethyl ester; In diethyl ether; at 10 ℃; for 1h;

With sulfuric acid; In diethyl ether; water; Cooling with ice;

upstream raw materials:

nonacosan-15-one

1-Bromotetradecane

formic acid ethyl ester

tetradecyllithium

Refernces

• 1、 Roosjen, Astrid,Smisterova, Jarmila,Driessen, Cecile,Anders, Joachim T.,Wagenaar, Anno,Hoekstra, Dick,Hulst, Ron,Engberts, Jan B. F. N.. "Synthesis and characteristics of biodegradable pyridinium amphiphiles used for in vitro DNA delivery". . p. 1271 - 1277. Retrieved 2007/10/03.