4-Hexadecylmorpholine

Base Information

• Chemical Name: 4-Hexadecylmorpholine
• CAS No.: 25727-91-7
• Molecular Formula: C20H41NO
• Molecular Weight: 311.552
• Hs Code.: 2934999090
• European Community (EC) Number: 247-212-1
• NSC Number: 9653,9652
• DSSTox Substance ID: DTXSID5067130
• Nikkaji Number: J285.798G
• Wikidata: Q81993709
• Mol file: 25727-91-7.mol

Synonyms:4-Hexadecylmorpholine;25727-91-7;N-CETYLMORPHOLINE;Morpholine, 4-hexadecyl-;EINECS 247-212-1;AI3-19525;cetylmorpholine;SCHEMBL1261601;DTXSID5067130;NSC9652;NSC9653;NSC-9652;NSC-9653;MFCD00023383;AKOS024390916;AS-57443;QUERCETIN-3,7,3,4-TETRAMETHYLETHER;5419-18-1

Chemical Property of 4-Hexadecylmorpholine

Chemical Property:

• Vapor Pressure: 1.77E-06mmHg at 25°C
• Melting Point: 28 °C
• Refractive Index: 1.459
• Boiling Point: 396 °C at 760 mmHg
• PKA: 7.61±0.10(Predicted)
• Flash Point: 116.5 °C
• PSA: 12.47000
• Density: 0.872 g/cm³
• LogP: 5.73780
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 311.318814931
• Heavy Atom Count: 22
• Complexity: 214

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCN1CCOCC1

Technology Process of 4-Hexadecylmorpholine

There total 5 articles about 4-Hexadecylmorpholine 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: 79.0%

morpholine (110-91-8,99108-56-2) + hexadecyl 2-(2-hydroxyethylthio)ethanesulfonate → 4-hexadecylmorpholine (25727-91-7)

Guidance literature:

In N,N-dimethyl-formamide; at 85 ℃; for 4h;

DOI:10.1002/adsc.201600628

Reference yield:

4-(1-oxohexadecyl)morpholine (5299-68-3) → 4-hexadecylmorpholine (25727-91-7)

Guidance literature:

With lithium aluminium tetrahydride; sulfuric acid; In tetrahydrofuran; at 0 ℃;

DOI:10.1248/cpb.40.3234

Reference yield:

morpholine (110-91-8,99108-56-2) + hexadecanyl bromide (112-82-3) → 4-hexadecylmorpholine (25727-91-7)

Guidance literature:

DOI:10.1021/ja01182a053

upstream raw materials:

morpholine

hexadecanyl bromide

4-(1-oxohexadecyl)morpholine

hexadecyl ethenesulfonate

Downstream raw materials:

4-ethyl-4-hexadecyl-morpholinium; ethyl sulfate

4-(2-chloro-benzyl)-4-hexadecyl-morpholinium; chloride

Refernces

• 1、 Cruz, Carlos M.,Ortega-Mu?oz, Mariano,López-Jaramillo, F. Javier,Hernández-Mateo, Fernando,Blanco, Victor,Santoyo-González, Francisco. "Vinyl Sulfonates: A Click Function for Coupling-and-Decoupling Chemistry and their Applications". . p. 3394 - 3413. Retrieved 2016/11/13.