4-Decyloxazolidin-2-one

Base Information

• Chemical Name: 4-Decyloxazolidin-2-one
• CAS No.: 7693-82-5
• Molecular Formula: C13H25NO2
• Molecular Weight: 227.347
• Hs Code.: 2934999090
• European Community (EC) Number: 443-770-7
• UNII: 95K9FHM51V
• DSSTox Substance ID: DTXSID00998216
• Nikkaji Number: J1.753.344D
• Wikidata: Q27271795
• Mol file: 7693-82-5.mol

Synonyms:4-Decyloxazolidin-2-one;Decyloxazolidinone;7693-82-5;4-decyl-1,3-oxazolidin-2-one;Dermac SR-38;2-Oxazolidinone, 4-decyl-;UNII-95K9FHM51V;95K9FHM51V;4-(Dec-1-yl)-1,3-oxazolidin-2-one;EC 443-770-7;4-Decyloxazolidine-2-one;SCHEMBL474085;DECYLOXAZOLIDINONE [INCI];DTXSID00998216;IUWVYVOQTFVXKL-UHFFFAOYSA-N;4-Decyl-4,5-dihydro-1,3-oxazol-2-ol;Q27271795

Chemical Property of 4-Decyloxazolidin-2-one

Chemical Property:

• Boiling Point: 383.554 °C at 760 mmHg
• Flash Point: 185.767 °C
• PSA: 41.82000
• Density: 0.94 g/cm³
• LogP: 3.26560
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 227.188529040
• Heavy Atom Count: 16
• Complexity: 194

Purity/Quality:

99.9% ^*data from raw suppliers

4-Decyl-1,3-oxazolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCC1COC(=O)N1

Technology Process of 4-Decyloxazolidin-2-one

There total 4 articles about 4-Decyloxazolidin-2-one 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: 68.0%

4-methoxy-1,3-oxazolidin-2-one (14441-94-2) + 1-bromo dodecane (112-29-8) → 4-decyloxazolidin-2-one (7693-82-5)

Guidance literature:

1-bromo dodecane; With magnesium; In tetrahydrofuran; at -45 ℃;

4-methoxy-1,3-oxazolidin-2-one; With copper(I) bromide dimethylsulfide complex; boron trifluoride diethyl etherate; In tetrahydrofuran; at -50 - 20 ℃; for 4h; Product distribution / selectivity;

Reference yield: 48.0%

4-methoxy-1,3-oxazolidin-2-one (14441-94-2) + n-decyl magnesium bromide (17049-50-2) → 4-decyloxazolidin-2-one (7693-82-5)

Guidance literature:

With boron trifluoride diethyl etherate; copper(I) cyanide; lithium chloride; In tetrahydrofuran; at -30 ℃; Product distribution / selectivity;

Reference yield:

[1,3]-dioxolan-2-one (96-49-1) + 2-amino-1-dodecanol (97028-87-0) → 4-decyloxazolidin-2-one (7693-82-5)

Guidance literature:

In ethyl acetate; toluene;

upstream raw materials:

[1,3]-dioxolan-2-one

2-amino-1-dodecanol

4-methoxy-1,3-oxazolidin-2-one

1-bromo dodecane

Refernces

• 1、 -. "Oxazolidinone penetration enhancing compounds". . . Retrieved 2008/06/13.