2-Morpholinobenzonitrile

Base Information

• Chemical Name: 2-Morpholinobenzonitrile
• CAS No.: 204078-32-0
• Molecular Formula: C11H12 N2 O
• Molecular Weight: 188.229
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID20371769
• Nikkaji Number: J1.042.135G
• Wikidata: Q82159210
• Mol file: 204078-32-0.mol

Synonyms:2-Morpholinobenzonitrile;204078-32-0;2-(4-Morpholino)benzonitrile;2-(morpholin-4-yl)benzonitrile;2-morpholin-4-ylbenzonitrile;MFCD01313390;Maybridge3_006823;SCHEMBL140064;DTXSID20371769;KSUYFCSSOHFITQ-UHFFFAOYSA-N;HMS1450G03;AC7525;CCG-50107;AKOS000261057;PS-5060;IDI1_018210;2-(4-morpholino)benzonitrile, AldrichCPR;SY004380;CS-0207006;FT-0613105;EN300-59825;A920747;SR-01000639509-1;Z127005334

Chemical Property of 2-Morpholinobenzonitrile

Chemical Property:

• Vapor Pressure: 2.74E-05mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 357.4°C at 760 mmHg
• PKA: 3.13±0.40(Predicted)
• Flash Point: 169.9°C
• PSA: 36.26000
• Density: 1.17g/cm³
• LogP: 1.45988
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

2-Morpholinobenzonitrile ^*data from reagent suppliers

Safty Information:

• Statements: 20/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC=CC=C2C#N

Technology Process of 2-Morpholinobenzonitrile

There total 5 articles about 2-Morpholinobenzonitrile 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: 97.0%

morpholine (110-91-8,99108-56-2) + 2-Chlorobenzonitrile (873-32-5) → 2-(4-morpholino)benzonitrile (204078-32-0)

Guidance literature:

With sodium t-butanolate; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane; In toluene; at 70 ℃;

DOI:10.1016/j.tetlet.2004.09.067

Reference yield: 95.0%

morpholine (110-91-8,99108-56-2) + 2-fluorobenzonitrile (394-47-8) → 2-(4-morpholino)benzonitrile (204078-32-0)

Guidance literature:

In acetonitrile;

Reference yield: 94.0%

morpholine (110-91-8,99108-56-2) + o-cyanobromobenzene (2042-37-7) → 2-(4-morpholino)benzonitrile (204078-32-0)

Guidance literature:

With sodium t-butanolate; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane; In toluene; at 50 ℃;

DOI:10.1016/j.tetlet.2004.09.067

upstream raw materials:

morpholine

2-fluorobenzonitrile

2-Chlorobenzonitrile

o-cyanobromobenzene

Downstream raw materials:

2-morpholinobenzamide

1-[2-(morpholin-4-yl)phenyl]methanamine