Phenol, 2-[[(5-methyl-3-isoxazolyl)imino]methyl]-

Base Information

• Chemical Name: Phenol, 2-[[(5-methyl-3-isoxazolyl)imino]methyl]-
• CAS No.: 112633-43-9
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.213
• DSSTox Substance ID: DTXSID50425163
• Nikkaji Number: J1.785.652I

Synonyms:112633-43-9;Phenol, 2-[[(5-methyl-3-isoxazolyl)imino]methyl]-;2-{[(5-methyl-3-isoxazolyl)imino]methyl}benzenol;2-[(5-methyl-1,2-oxazol-3-yl)iminomethyl]phenol;2-[(1E)-[(5-methyl-1,2-oxazol-3-yl)imino]methyl]phenol;Maybridge3_005918;Oprea1_612318;DTXSID50425163;HMS1447M22;MFCD00176205;AKOS005105810;AKOS030240578;CCG-244860;JS-0879;IDI1_017305;N-(salicylidene)-3-amino-5-methyl-isoxazole;(E)-2-{[(5-Methylisoxazol-3-yl)imino]methyl}phenol;2-{[(5-METHYL-1,2-OXAZOL-3-YL)IMINO]METHYL}PHENOL

Chemical Property of Phenol, 2-[[(5-methyl-3-isoxazolyl)imino]methyl]-

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NO1)N=CC2=CC=CC=C2O

Technology Process of Phenol, 2-[[(5-methyl-3-isoxazolyl)imino]methyl]-

There total 2 articles about Phenol, 2-[[(5-methyl-3-isoxazolyl)imino]methyl]- 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: 100.0%

5-methylisoxazol-3-ylamine (1072-67-9) + salicylaldehyde (90-02-8) → 2-[(5-methyl-3-isoxazolyl)imino]methylphenol (112633-43-9)

Guidance literature:

Reflux;

Reference yield: 87.0%

5-methylisoxazol-3-ylamine (1072-67-9) + 2-methyl-benzyl alcohol (89-95-2) → 2-[(5-methyl-3-isoxazolyl)imino]methylphenol (112633-43-9)

Guidance literature:

at 20 ℃; for 0.00833333h; microwave irradiation;

DOI:10.1081/SCC-120006012

Reference yield: 91.0%

2-[(5-methyl-3-isoxazolyl)imino]methylphenol (112633-43-9) → 2-[(5-methyl-3-isoxazolyl)amino]methylphenol (298216-14-5)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 10 - 20 ℃;

upstream raw materials:

5-methylisoxazol-3-ylamine

2-methyl-benzyl alcohol

salicylaldehyde

Downstream raw materials:

C₂₈H₂₂N₂O₄

2-[(5-methyl-3-isoxazolyl)amino]methylphenol

N₂-(2-hydroxybenzyl)-N₂-(5-methyl-3-isoxazolyl)-N₁-phenylurea

C₁₉H₁₉N₃O₃

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