2-(2-Morpholinoethyl)-2-phenylbutyronitrile

Base Information

• Chemical Name: 2-(2-Morpholinoethyl)-2-phenylbutyronitrile
• CAS No.: 2809-52-1
• Molecular Formula: C₁₆H₂₂N₂O
• Molecular Weight: 258.363
• DSSTox Substance ID: DTXSID50950824
• Nikkaji Number: J42.932E
• Mol file: 2809-52-1.mol

Synonyms:BRN 1081720;2-(2-Morpholinoethyl)-2-phenylbutyronitrile;2809-52-1;BUTYRONITRILE, 2-(2-MORPHOLINOETHYL)-2-PHENYL-;C16H22N2O;DTXSID50950824;LS-48267;alpha-Ethyl-alpha-phenyl-4-morpholinebutyronitrile;2-ETHYL-4-(MORPHOLIN-4-YL)-2-PHENYLBUTANENITRILE;4-Morpholinebutyronitrile, .alpha.-ethyl-.alpha.-phenyl-

Chemical Property of 2-(2-Morpholinoethyl)-2-phenylbutyronitrile

Chemical Property:

• Vapor Pressure: 6.31E-07mmHg at 25°C
• Boiling Point: 409.8°Cat760mmHg
• Flash Point: 201.6°C
• PSA: 36.26000
• Density: 1.045g/cm³
• LogP: 2.51818
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 258.173213330
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

BUTYRONITRILE, 2-(2-MORPHOLINOETHYL)-2-PHENYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCN1CCOCC1)(C#N)C2=CC=CC=C2

Technology Process of 2-(2-Morpholinoethyl)-2-phenylbutyronitrile

There total 1 articles about 2-(2-Morpholinoethyl)-2-phenylbutyronitrile 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:

ethyl bromide (74-96-4) + 4-(morpholin-4-yl)-2-phenylbutanenitrile (58323-63-0) → 2-ethyl-4-morpholin-4-yl-2-phenyl-butyronitrile (2809-52-1)

Guidance literature:

Multistep reaction; (i) NaNH₂, (ii) /BRN= 1209224/;

DOI:10.1021/jm00329a009

Reference yield:

2-ethyl-4-morpholin-4-yl-2-phenyl-butyronitrile (2809-52-1) → 2-ethyl-4-morpholin-4-yl-2-phenyl-butyramide (2977-26-6)

Guidance literature:

With sulfuric acid; at 90 - 95 ℃;

DOI:10.1021/jm00329a010

upstream raw materials:

ethyl bromide

4-(morpholin-4-yl)-2-phenylbutanenitrile

Downstream raw materials:

2-ethyl-4-morpholin-4-yl-2-phenyl-butyramide

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