5-Methyl-3-phenyl-4-isoxazolamine

Base Information

• Chemical Name: 5-Methyl-3-phenyl-4-isoxazolamine
• CAS No.: 21169-65-3
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00372673
• Wikidata: Q82160509
• ChEMBL ID: CHEMBL3527220
• Mol file: 21169-65-3.mol

Synonyms:21169-65-3;5-METHYL-3-PHENYL-4-ISOXAZOLAMINE;5-Methyl-3-phenylisoxazol-4-amine;5-methyl-3-phenyl-1,2-oxazol-4-amine;4-Amino-5-methyl-3-phenylisoxazole;3-phenyl-5-methyl-4-aminoisoxazole;4-Isoxazolamine, 5-methyl-3-phenyl-;Maybridge3_007577;SCHEMBL657826;CHEMBL3527220;DTXSID00372673;QWMOVJWPTZATFS-UHFFFAOYSA-N;HMS1452L15;WAA16965;CCG-55506;MFCD02677726;AKOS006229432;PS-4715;2-HYDROXY-4-METHOXYBENZYLALCOHOL;IDI1_018964;5-methyl-3-phenyl-1.2-oxazol-4-amine;CS-0106626;D76658;EN300-1179725;A902649;SR-01000644528-1

Chemical Property of 5-Methyl-3-phenyl-4-isoxazolamine

Chemical Property:

• Vapor Pressure: 0.000199mmHg at 25°C
• Melting Point: 50 °C
• Refractive Index: 1.588
• Boiling Point: 327.7 °C at 760 mmHg
• PKA: 0.95±0.10(Predicted)
• Flash Point: 152 °C
• PSA: 52.05000
• Density: 1.166 g/cm³
• LogP: 2.81340
• Sensitive.: Light Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-3-phenylisoxazol-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)N

Technology Process of 5-Methyl-3-phenyl-4-isoxazolamine

There total 10 articles about 5-Methyl-3-phenyl-4-isoxazolamine 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: 53.0%

5-methyl-3-phenyl-4-nitroisoxazole (57354-90-2) → 5-methyl-3-phenyl-1,2-oxazole-4-amine (21169-65-3)

Guidance literature:

With ammonium chloride; zinc; In water; at 0 - 5 ℃;

DOI:10.1002/hlca.19910740309

Reference yield: 52.0%

tert-butyl (5-methyl-3-phenylisoxazol-4-yl)carbamate → 5-methyl-3-phenyl-1,2-oxazole-4-amine (21169-65-3)

Guidance literature:

With trifluoroacetic acid; at 20 ℃;

DOI:10.1021/acs.jmedchem.9b01086

Reference yield:

(5-methyl-3-phenyl-isoxazol-4-yl)-carbamic acid ethyl ester (21169-64-2) → 5-methyl-3-phenyl-1,2-oxazole-4-amine (21169-65-3)

Guidance literature:

With hydrogenchloride; In acetic acid; Heating;

DOI:10.1007/BF00759610

upstream raw materials:

5-methyl-3-phenylisoxazole-4-carboxamide

(5-methyl-3-phenyl-isoxazol-4-yl)-carbamic acid ethyl ester

5-methyl-3-phenyl-4-nitroisoxazole

benzohydroximoyl chloride

Downstream raw materials:

5-methyl-3-phenyl-isoxazol-4-ol

(5-methyl-3-phenyl-isoxazol-4-yl)-(5-nitro-furan-2-ylmethylene)-amine

1,3-Bis(3-phenyl-5-methyl-4-isoxazolyl)triazene

N-(5-methyl-3-phenyl-isoxazol-4-yl)-acetamide