METHYL-(5-PHENYL-ISOXAZOL-3-YLMETHYL)-AMINE HYDROCHLORIDE

Base Information

• Chemical Name: METHYL-(5-PHENYL-ISOXAZOL-3-YLMETHYL)-AMINE HYDROCHLORIDE
• CAS No.: 852227-91-9
• Molecular Formula: C11H12 N2 O . Cl H
• Molecular Weight: 224.69
• Mol file: 852227-91-9.mol

Synonyms:3-Isoxazolemethanamine,N-methyl-5-phenyl-, monohydrochloride (9CI)

Chemical Property of METHYL-(5-PHENYL-ISOXAZOL-3-YLMETHYL)-AMINE HYDROCHLORIDE

Chemical Property:

• Melting Point: 229-232 °C(Solv: ethyl ether (60-29-7); ethanol (64-17-5))
• PSA: 38.06000
• LogP: 3.25390

Purity/Quality:

98%min ^*data from raw suppliers

N-Methyl-1-(5-phenyl-3-isoxazolyl)methanaminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL-(5-PHENYL-ISOXAZOL-3-YLMETHYL)-AMINE HYDROCHLORIDE

There total 5 articles about METHYL-(5-PHENYL-ISOXAZOL-3-YLMETHYL)-AMINE HYDROCHLORIDE 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: 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

Reference yield: 54.0%

5-phenylisoxazole-3-(N-methyl)carboxamide (144537-05-3) → N-methyl-1-(5-phenylisoxazol-3-yl)methylamine hydrochloride (852227-91-9)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; diethyl ether; at 20 ℃; for 0.5h; Inert atmosphere;

5-phenylisoxazole-3-(N-methyl)carboxamide; In tetrahydrofuran; diethyl ether; for 4h; Further stages; Reflux;

DOI:10.1134/S1070428011080136

Reference yield:

ethyl 5-phenylisoxazole-3-carboxylate (7063-99-2) → N-methyl-1-(5-phenylisoxazol-3-yl)methylamine hydrochloride (852227-91-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethanol; water / 168 h / 20 °C

1.2: 5 h / Reflux

2.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran; diethyl ether / 0.5 h / 20 °C / Inert atmosphere

2.2: 4 h / Reflux

With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; diethyl ether; ethanol; water;

DOI:10.1134/S1070428011080136

upstream raw materials:

ethyl 5-phenylisoxazole-3-carboxylate

5-phenylisoxazole-3-(N-methyl)carboxamide

5-phenylisoxazole-3-carbaldehyde

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

Refernces

• 1、 Musatov,Starodubtseva,Rakishev,Turova,Vinogradov. "Synthesis of 3-aminomethyl-substituted pyrazoles and isoxazoles". . p. 1199 - 1203. Retrieved 2011/12/15.