alpha-(4-methoxyphenyl)morpholine-4-acetonitrile

Base Information

• Chemical Name: alpha-(4-methoxyphenyl)morpholine-4-acetonitrile
• CAS No.: 15190-13-3
• Molecular Formula: C13H16 N2 O2
• Molecular Weight: 232.282
• Hs Code.: 2934999090
• European Community (EC) Number: 239-245-5
• NSC Number: 163359
• DSSTox Substance ID: DTXSID601257478
• Nikkaji Number: J218.368D
• ChEMBL ID: CHEMBL1491522
• Mol file: 15190-13-3.mol

Synonyms:4-Morpholineacetonitrile,a-(p-methoxyphenyl)- (8CI); NSC163359; ST 38775

Chemical Property of alpha-(4-methoxyphenyl)morpholine-4-acetonitrile

Chemical Property:

• Boiling Point: 352.7°Cat760mmHg
• Flash Point: 167.1°C
• PSA: 45.49000
• Density: 1.152g/cm³
• LogP: 1.52998
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.121177757
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

ALPHA-(4-METHOXYPHENYL)-4-MORPHOLINEACETONITRILE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C#N)N2CCOCC2

Technology Process of alpha-(4-methoxyphenyl)morpholine-4-acetonitrile

There total 10 articles about alpha-(4-methoxyphenyl)morpholine-4-acetonitrile 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: 96.0%

morpholine (110-91-8,99108-56-2) + potassium cyanide (151-50-8) + 4-methoxy-benzaldehyde (123-11-5) → (4-methoxy-phenyl)-morpholin-4-yl-acetonitrile (15190-13-3)

Guidance literature:

morpholine; 4-methoxy-benzaldehyde; With perchloric acid; at 60 ℃; for 2h;

potassium cyanide; With perchloric acid; at 90 ℃; for 2h;

DOI:10.1016/S0040-4020(01)00629-9

Reference yield: 95.0%

morpholine (110-91-8,99108-56-2) + trimethylsilyl cyanide (7677-24-9) + 4-methoxy-benzaldehyde (123-11-5) → (4-methoxy-phenyl)-morpholin-4-yl-acetonitrile (15190-13-3)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In ethyl acetate; acetonitrile; at 20 ℃; for 0.1h; Inert atmosphere;

DOI:10.1016/j.cclet.2015.03.021

Reference yield: 87.0%

sodium cyanide (773837-37-9) + morpholin hydrochloride (10024-89-2) + 4-methoxy-benzaldehyde (123-11-5) → (4-methoxy-phenyl)-morpholin-4-yl-acetonitrile (15190-13-3)

Guidance literature:

In methanol; water; at 30 ℃; for 4h;

DOI:10.1016/j.tet.2014.10.058

upstream raw materials:

morpholine

potassium cyanide

4-methoxy-benzaldehyde

sodium cyanide

Downstream raw materials:

4-(4-methoxy-phenyl)-4-oxo-butyric acid

2-methyl-4-oxo-4-(4-methoxyphenyl)-butyric acid

(+/-)-4-[1,3-Dicyano-2-methyl-3-(N-morpholino)propyl]anisole

(R)-(-)-4-methoxybenzyl-α-d chloride