4-(2-Morpholin-4-ylethoxy)benzonitrile

Base Information

• Chemical Name: 4-(2-Morpholin-4-ylethoxy)benzonitrile
• CAS No.: 34334-04-8
• Molecular Formula: C13H16 N2 O2
• Molecular Weight: 232.282
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20388155
• Wikidata: Q82182917
• Mol file: 34334-04-8.mol

Synonyms:4-(2-morpholin-4-ylethoxy)benzonitrile;34334-04-8;4-(2-morpholinoethoxy)benzonitrile;MFCD07772850;4-[2-(4-morpholinyl)ethoxy]benzonitrile;4-[2-(morpholin-4-yl)ethoxy]benzonitrile;SCHEMBL424774;DTXSID20388155;KQTJRPZKCNRDQC-UHFFFAOYSA-N;AKOS000211804;MS-22292;4-(2-morpholin-4-yl-ethoxy)-benzonitrile;CS-0323452;FT-0709021;J-513334

Chemical Property of 4-(2-Morpholin-4-ylethoxy)benzonitrile

Chemical Property:

• Vapor Pressure: 1.17E-06mmHg at 25°C
• Melting Point: 87 °C
• Refractive Index: 1.561
• Boiling Point: 401.6°Cat760mmHg
• PKA: 6.35±0.10(Predicted)
• Flash Point: 196.7°C
• PSA: 45.49000
• Density: 1.16g/cm³
• LogP: 1.20718
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 232.121177757
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Morpholin-4-ylethoxy)benzonitrile 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1CCOC2=CC=C(C=C2)C#N

Technology Process of 4-(2-Morpholin-4-ylethoxy)benzonitrile

There total 5 articles about 4-(2-Morpholin-4-ylethoxy)benzonitrile 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: 92.0%

4-[2-(4-morpholinyl)ethoxy]benzenemethanamine (140836-69-7) → 4-(2-morpholinoethoxy)benzonitrile (34334-04-8)

Guidance literature:

With ammonium hydroxide; oxygen; In tert-Amyl alcohol; at 110 ℃; for 15h; under 2250.23 Torr; Autoclave; Green chemistry;

DOI:10.1002/cssc.201402613

Reference yield: 76.0%

4-(2-chloroethyl)morpholine hydrochride (3647-69-6) + 4-cyanophenol (767-00-0) → 4-(2-morpholinoethoxy)benzonitrile (34334-04-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 160 ℃; for 24h;

DOI:10.1016/j.ejmech.2011.07.050

Reference yield:

N-(2-chlorethyl)morpholine (3240-94-6) + 4-cyanophenol (767-00-0) → 4-(2-morpholinoethoxy)benzonitrile (34334-04-8)

Guidance literature:

With NaH; In ice-water; N,N-dimethyl-formamide;

upstream raw materials:

2-(morpholin-4-yl)ethanol

4-cyanophenol

N-(2-chlorethyl)morpholine

4-(2-chloroethyl)morpholine hydrochride

Downstream raw materials:

4-[2-(4-morpholinyl)ethoxy]benzenemethanamine

2-(2-(4-(2-morpholinoethoxy)phenyl)thiazol-4-yl)acetic acid

N-benzyl-2-(2-(4-(2-morpholinoethoxy)phenyl)thiazol-4-yl)acetamide

N-(4-fluorobenzyl)-2-(2-(4-(2-morpholinoethoxy)phenyl)thiazol-4-yl)acetamide

Refernces

• 1、 Jagadeesh, Rajenahally V.,Junge, Henrik,Beller, Matthias. ""Nanorust"-catalyzed benign oxidation of amines for selective synthesis of nitriles". . p. 92 - 96. Retrieved 2015/02/19.
• 2、 Starkey, Gale W.,Parlow, John J.,Flynn, Daniel L.. "Chemically-tagged Mitsunobu reagents for use in solution-phase chemical library synthesis". . p. 2385 - 2390. Retrieved 2007/10/03.