5-Aminomethyl-3-isopropylisoxazole

Base Information

• Chemical Name: 5-Aminomethyl-3-isopropylisoxazole
• CAS No.: 543713-30-0
• Molecular Formula: C7H12N2O
• Molecular Weight: 140.185
• Hs Code.: 2934999090
• European Community (EC) Number: 841-805-4
• DSSTox Substance ID: DTXSID70424355
• ChEMBL ID: CHEMBL4528004
• Mol file: 543713-30-0.mol

Synonyms:543713-30-0;5-Aminomethyl-3-isopropylisoxazole;(3-Isopropylisoxazol-5-yl)methanamine;C-(3-Isopropyl-isoxazol-5-yl)-methylamine;(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;[3-(propan-2-yl)-1,2-oxazol-5-yl]methanamine;[(3-isopropylisoxazol-5-yl)methyl]amine;1-[3-(propan-2-yl)-1,2-oxazol-5-yl]methanamine;SCHEMBL442507;CHEMBL4528004;DTXSID70424355;MKXNIPKWBZUUAJ-UHFFFAOYSA-N;MFCD07643181;STK346995;(3-i-propylisoxazol-5-yl)methylamine;AKOS000303226;3-(1-methylethyl)-5-isoxazolemethanamine;LS-03272;1-(3-isopropyl-isoxazol-5-yl)methylamine;CS-0085308;FT-0744681;EN300-77519;A830127;J-516739;Z1197870519;(3-isopropylisoxazol-5-yl)methanamine;5-(Aminomethyl)-3-isopropylisoxazole

Chemical Property of 5-Aminomethyl-3-isopropylisoxazole

Chemical Property:

• Vapor Pressure: 0.057mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 233.1°C at 760 mmHg
• PKA: 7.91±0.29(Predicted)
• Flash Point: 94.8°C
• PSA: 52.05000
• Density: 1.034g/cm³
• LogP: 2.75900
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.094963011
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

98%min ^*data from raw suppliers

C-(3-Isopropyl-isoxazol-5-yl)-methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NOC(=C1)CN
• Uses: C-(3-Isopropyl-isoxazol-5-yl)-methylamine acts as a reagent for the design, synthesis, and herbicidal activities of novel 2-cyanoacrylates containing isoxazole moieties. Synthesis of 3-substituted analogs of tenuazonic acid and their herbicidal, fungicidal, and insecticidal activities.

Technology Process of 5-Aminomethyl-3-isopropylisoxazole

There total 3 articles about 5-Aminomethyl-3-isopropylisoxazole 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:

5-(bromomethyl)-3-isopropyl-1,2-oxazole (134539-55-2) → (3-iso-propylisoxazol-5-yl)methylamine (543713-30-0)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 5 h / 20 °C

2: hydrazine hydrate / ethanol / 5 h / Reflux

With hydrazine hydrate; In ethanol; N,N-dimethyl-formamide; 2: Gabriel reaction;

DOI:10.1021/jf902541w

Reference yield:

C15H14N2O3 (1203465-95-5) → (3-iso-propylisoxazol-5-yl)methylamine (543713-30-0)

Guidance literature:

With hydrazine hydrate; In ethanol; for 5h; Reflux;

DOI:10.1021/jf902541w

Reference yield:

→ (3-iso-propylisoxazol-5-yl)methylamine (543713-30-0)

Guidance literature:

upstream raw materials:

5-(bromomethyl)-3-isopropyl-1,2-oxazole

C₁₅H₁₄N₂O₃

Downstream raw materials:

XL228

N-(3-isopropyl-isoxazol-5-ylmethyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide

(R/S)-2-hydroxy-N-((3-isopropylisoxazol-5-yl)methyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamide

Refernces

• 1、 -. "Novel Compounds". Page/Page column 107. . Retrieved 2008/06/13.