alpha-Isopropyl-alpha-(3-morpholinopropyl)-1-naphthaleneacetonitrile

Base Information

• Chemical Name: alpha-Isopropyl-alpha-(3-morpholinopropyl)-1-naphthaleneacetonitrile
• CAS No.: 13326-38-0
• Molecular Formula: C22H28N2O
• Molecular Weight: 336.47052
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30928026
• Nikkaji Number: J42.414E
• Mol file: 13326-38-0.mol

Synonyms:13326-38-0;alpha-Isopropyl-alpha-(3-morpholinopropyl)-1-naphthaleneacetonitrile;BRN 1157531;5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile;4-Morpholinevaleronitrile, alpha-isopropyl-alpha-1-naphthyl-;1-NAPHTHALENEACETONITRILE, alpha-ISOPROPYL-alpha-(3-MORPHOLINOPROPYL)-;DTXSID30928026;MVEGEKZTQWXRNO-UHFFFAOYSA-N;LS-94417;4-Morpholinevaleronitrile, .alpha.-isopropyl-.alpha.-1-naphthyl-;5-(Morpholin-4-yl)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanenitrile

Chemical Property of alpha-Isopropyl-alpha-(3-morpholinopropyl)-1-naphthaleneacetonitrile

Chemical Property:

• Vapor Pressure: 9.11E-11mmHg at 25°C
• Boiling Point: 516.3°C at 760 mmHg
• Flash Point: 266°C
• PSA: 36.26000
• Density: 1.069g/cm³
• LogP: 4.30748
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 336.220163521
• Heavy Atom Count: 25
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CCCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32

Technology Process of alpha-Isopropyl-alpha-(3-morpholinopropyl)-1-naphthaleneacetonitrile

There total 1 articles about alpha-Isopropyl-alpha-(3-morpholinopropyl)-1-naphthaleneacetonitrile 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:

4-(3-chloropropyl)morpholine (7357-67-7) + 3-methyl-2-naphthalen-1-yl-butyronitrile (52501-56-1) → 2-isopropyl-5-morpholin-4-yl-2-naphthalen-1-yl-pentanenitrile (13326-38-0)

Guidance literature:

Multistep reaction; (i) NaNH₂, benzene, (ii) /BRN= 105107/;

DOI:10.1021/jm00323a016

Reference yield:

2-isopropyl-5-morpholin-4-yl-2-naphthalen-1-yl-pentanenitrile (13326-38-0) → 2-isopropyl-5-morpholin-4-yl-2-naphthalen-1-yl-pentanoic acid amide (13531-99-2)

Guidance literature:

With sulfuric acid; water; acetic acid; for 216h; Heating;

DOI:10.1021/jm00323a016

Reference yield:

2-isopropyl-5-morpholin-4-yl-2-naphthalen-1-yl-pentanenitrile (13326-38-0) → 2-isopropyl-5-morpholin-4-yl-2-naphthalen-1-yl-pentylamine (27566-43-4)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/jm00298a020

upstream raw materials:

4-(3-chloropropyl)morpholine

3-methyl-2-naphthalen-1-yl-butyronitrile

Downstream raw materials:

2-isopropyl-5-morpholin-4-yl-2-naphthalen-1-yl-pentylamine

2-isopropyl-5-morpholin-4-yl-2-naphthalen-1-yl-pentanoic acid amide

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