2-Morpholinobenzylamine

Base Information

• Chemical Name: 2-Morpholinobenzylamine
• CAS No.: 204078-48-8
• Molecular Formula: C11H16 N2 O
• Molecular Weight: 192.261
• Hs Code.: 2934999090
• European Community (EC) Number: 800-969-7
• DSSTox Substance ID: DTXSID10380188
• Nikkaji Number: J1.504.530B
• Wikidata: Q72492935
• Mol file: 204078-48-8.mol

Synonyms:2-Morpholinobenzylamine;204078-48-8;(2-morpholinophenyl)methanamine;2-(Morpholin-4-yl)benzylamine;[2-(Morpholin-4-Yl)Phenyl]Methanamine;(2-morpholin-4-ylphenyl)methanamine;[2-(4-Morpholinyl)phenyl]methanamine;MFCD03086183;1-[2-(morpholin-4-yl)phenyl]methanamine;2-morpholin-4-yl-benzylamine;SDCCGMLS-0066052.P001;(2-morpholino)benzylamine;2-morpholin-4-ylbenzylamine;2-Morpholinobenzenemethanamine;2-(4-Morpholinyl)benzylamine;SCHEMBL111193;(2-morpholin-4-ylbenzyl)amine;SCHEMBL5281587;DTXSID10380188;RNYURNUANACIKS-UHFFFAOYSA-N;[2-(Morpholin-4-yl)benzyl]amine;BBL040078;STK349817;AKOS000261332;2-(4-MORPHOLINYL)-BENZYLAMINE;FS-2606;[[2-(Morpholin-4-yl)phenyl]methyl]amine;BB 0255054;CS-0129550;FT-0613106;EN300-58762;C78032;3-(2-METHOXYCARBONYLPHENOXY)-PHTHALONITRILE

Chemical Property of 2-Morpholinobenzylamine

Chemical Property:

• Vapor Pressure: 5.65E-05mmHg at 25°C
• Boiling Point: 346.7°C at 760 mmHg
• PKA: 9.90±0.10(Predicted)
• Flash Point: 163.5°C
• PSA: 38.49000
• Density: 1.113g/cm³
• LogP: 1.74720
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

2-Morpholinobenzylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC=CC=C2CN

Technology Process of 2-Morpholinobenzylamine

There total 4 articles about 2-Morpholinobenzylamine 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: 81.0%

morpholine (110-91-8,99108-56-2) + 2-fluorobenzonitrile (394-47-8) → 1-[2-(morpholin-4-yl)phenyl]methanamine (204078-48-8)

Guidance literature:

morpholine; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 ℃;

With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃;

2-fluorobenzonitrile; In tetrahydrofuran; hexane; at 65 ℃; for 2h; Further stages.;

DOI:10.1021/jo001388j

Reference yield:

2-(4-morpholino)benzonitrile (204078-32-0) → 1-[2-(morpholin-4-yl)phenyl]methanamine (204078-48-8)

Guidance literature:

In tetrahydrofuran;

Reference yield:

2-fluorobenzonitrile (394-47-8) → 1-[2-(morpholin-4-yl)phenyl]methanamine (204078-48-8)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 110 °C / Microwave irradiation

2: ammonia; hydrogen / methanol / 22 °C

With ammonia; hydrogen; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2011.04.024

upstream raw materials:

morpholine

2-fluorobenzonitrile

2-(4-morpholino)benzonitrile

Downstream raw materials:

C₂₃H₂₂ClN₃O₂

Refernces

• 1、 -. "Method of inhibiting neoplastic cells with imidazoquinazoline derivatives". . . Retrieved 2008/06/13.
• 2、 -. "Imidazoquinazoline derivatives". . . Retrieved 2008/06/13.