N-(4-Chlorobenzylidene)-5-methyl-3-isoxazolamine

Base Information

• Chemical Name: N-(4-Chlorobenzylidene)-5-methyl-3-isoxazolamine
• CAS No.: 88812-63-9
• Molecular Formula: C11H9ClN2O
• Molecular Weight: 220.658
• European Community (EC) Number: 655-339-2
• Mol file: 88812-63-9.mol

Synonyms:N-(4-Chlorobenzylidene)-5-methylisoxazol-3-amine;88812-63-9;N-(4-CHLOROBENZYLIDENE)-5-METHYL-3-ISOXAZOLAMINE;AKOS024417624

Chemical Property of N-(4-Chlorobenzylidene)-5-methyl-3-isoxazolamine

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.0403406
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NO1)N=CC2=CC=C(C=C2)Cl

Technology Process of N-(4-Chlorobenzylidene)-5-methyl-3-isoxazolamine

There total 1 articles about N-(4-Chlorobenzylidene)-5-methyl-3-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: 100.0%

5-methylisoxazol-3-ylamine (1072-67-9) + 4-chlorobenzaldehyde (104-88-1) → N-(4-chlorobenzylidene)-5-methylisoxazol-3-amine (88812-63-9)

Guidance literature:

Heating;

Reference yield: 89.0%

ammonium thiocyanate + N-(4-chlorobenzylidene)-5-methylisoxazol-3-amine (88812-63-9) → C12H10ClN3OS (1295478-06-6)

Guidance literature:

With acetic acid; for 3h; Reflux;

Reference yield: 81.0%

methanol (67-56-1) + N-(4-chlorobenzylidene)-5-methylisoxazol-3-amine (88812-63-9) → methyl (Z)-4-chloro-N-(5-methylisoxazol-3-yl)benzimidate

Guidance literature:

With sodium pyruvate; C₁₃H₁₇N₄⁽¹⁺⁾*BF₄^(1-); potassium carbonate; at 25 ℃; for 6h; Green chemistry;

DOI:10.1039/d0gc02555k

upstream raw materials:

5-methylisoxazol-3-ylamine

4-chlorobenzaldehyde

Downstream raw materials:

1,3-Bis-(4-chloro-phenyl)-2-(5-methyl-isoxazol-3-yl)-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine

1-[(4-chloro-phenyl)-(5-methyl-isoxazol-3-ylamino)-methyl]-naphthalen-2-ol

C₁₂H₁₀ClN₃OS

C₁₉H₁₅ClN₄O₂S