5-Aminomethyl-3-methoxyisoxazole

Base Information

• Chemical Name: 5-Aminomethyl-3-methoxyisoxazole
• CAS No.: 2763-94-2
• Molecular Formula: C5H8N2O2
• Molecular Weight: 128.131
• European Community (EC) Number: 860-510-1
• DSSTox Substance ID: DTXSID801301718
• Mol file: 2763-94-2.mol

Synonyms:5-Aminomethyl-3-methoxyisoxazole;(3-methoxy-1,2-oxazol-5-yl)methanamine;2763-94-2;5-Isoxazolemethanamine, 3-methoxy-;(3-Methoxyisoxazol-5-yl)methanamine;3-methoxy-5-isoxazolemethanamine;starbld0027957;SCHEMBL441859;IVMFFAPHOPXMAD-UHFFFAOYSA-N;DTXSID801301718;CAA76394;AKOS006294856;AT21055;EN300-302013

Chemical Property of 5-Aminomethyl-3-methoxyisoxazole

Chemical Property:

• PSA: 61.28000
• LogP: 0.84220
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 128.058577502
• Heavy Atom Count: 9
• Complexity: 89

Purity/Quality:

(3-methoxy-1,2-oxazol-5-yl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NOC(=C1)CN

Technology Process of 5-Aminomethyl-3-methoxyisoxazole

There total 10 articles about 5-Aminomethyl-3-methoxyisoxazole 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: 66.0%

methanol (67-56-1) + 5-Aminomethyl-3-bromoisoxazole (2763-93-1) → 5-aminomethyl-3-methoxyisoxazole (2763-94-2)

Guidance literature:

With potassium hydroxide; for 24h; Heating;

DOI:10.1080/00397919208021324

Reference yield:

3-methoxy-isoxazole-5-carbaldehyde oxime (59558-60-0) → 5-aminomethyl-3-methoxyisoxazole (2763-94-2)

Guidance literature:

With aluminium amalgam; In methanol; water; at 25 ℃; for 4h;

Reference yield:

3-methoxyisoxazole-5-carboxylic acid (13626-59-0) → 5-aminomethyl-3-methoxyisoxazole (2763-94-2)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl

2: aq. NH₃

3: B₂H₆, aq. HCl / tetrahydrofuran

With hydrogenchloride; ammonium hydroxide; diborane; In tetrahydrofuran;

DOI:10.1039/j39680000172

upstream raw materials:

methanol

5-Aminomethyl-3-bromoisoxazole

(3-methoxy-isoxazol-5-ylmethyl)-carbamic acid ethyl ester

3-methoxy-isoxazole-5-carboxylic acid amide

Downstream raw materials:

muscimol

Refernces