N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine

Base Information

• Chemical Name: N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine
• CAS No.: 852431-02-8
• Molecular Formula: C11H12N2O
• Molecular Weight: 188.229
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00409438
• Wikidata: Q72494926
• Mol file: 852431-02-8.mol

Synonyms:852431-02-8;N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine;N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine;Methyl-(5-phenyl-isoxazol-3-ylmethyl)-amine;N-methyl-1-(5-phenylisoxazol-3-yl)methanamine;methyl[(5-phenyl-1,2-oxazol-3-yl)methyl]amine;n-methyl-n-((5-phenylisoxazol-3-yl)methyl)amine;N-methyl-1-(5-phenyl-3-isoxazolyl)methanamine;SCHEMBL4902504;DTXSID00409438;AKOS000506098;TS-02650;BB 0218458;CS-0301622;FT-0677968;C16486;EN300-231904;J-523716

Chemical Property of N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine

Chemical Property:

• Vapor Pressure: 0.000262mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 323.4 °C at 760 mmHg
• PKA: 7.82±0.10(Predicted)
• Flash Point: 149.4 °C
• PSA: 38.06000
• Density: 1.092 g/cm³
• LogP: 2.45190
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

N-methyl-1-(5-phenylisoxazol-3-yl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=NOC(=C1)C2=CC=CC=C2

Technology Process of N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine

There total 2 articles about N-Methyl-N-[(5-phenylisoxazol-3-yl)methyl]amine 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: 75.0%

C11H10N2O → N-methyl-1-(5-phenylisoxazol-3-yl)methylamine (852431-02-8)

Guidance literature:

With sodium tetrahydroborate; In isopropyl alcohol; at 20 ℃; for 96h;

DOI:10.1134/S1070363221080120

Reference yield:

5-phenylisoxazole-3-carbaldehyde (59985-82-9) → N-methyl-1-(5-phenylisoxazol-3-yl)methylamine (852431-02-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / methanol / 96 h / 20 °C

2: sodium tetrahydroborate / isopropyl alcohol / 96 h / 20 °C

With sodium tetrahydroborate; sodium hydrogencarbonate; In methanol; isopropyl alcohol;

DOI:10.1134/S1070363221080120

Reference yield: 79.0%

N-methyl-1-(5-phenylisoxazol-3-yl)methylamine (852431-02-8) → N-methyl-1-(5-phenylisoxazol-3-yl)methylamine hydrochloride (852227-91-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; for 0.25h;

DOI:10.1134/S1070363221080120

upstream raw materials:

5-phenylisoxazole-3-carbaldehyde

Downstream raw materials:

1-methyl-5-(methyl((5-phenylisoxazol-3-yl)methyl)amino)-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one

N-methyl-1-(5-phenylisoxazol-3-yl)methylamine hydrochloride

Refernces