N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline

Base Information

• Chemical Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
• CAS No.: 733796-14-0
• Molecular Formula: C₁₂H₁₄N₂O
• Molecular Weight: 202.256
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID101256801
• Mol file: 733796-14-0.mol

Synonyms:733796-14-0;N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline;N-[(dimethyl-1,2-oxazol-4-yl)methyl]aniline;N-[(3,5-dimethyl-4-isoxazolyl)methyl]aniline;(3,5-Dimethyl-isoxazol-4-ylmethyl)-phenyl-amine;SCHEMBL23222180;DTXSID101256801;HMS1729H01;MFCD04124300;AKOS001061330;11L-609S;CS-0220227;3,5-Dimethyl-N-phenyl-4-isoxazolemethanamine;EN300-06120;N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-phenylamine;Z56928941

Chemical Property of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.110613074
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

N-[(3,5-Dimethyl-4-isoxazolyl)methyl]aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C)CNC2=CC=CC=C2

Technology Process of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline

There total 3 articles about N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline 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: 64.0%

1,1'-(1,3-diphenylhexahydropyrimidine-5,5-diyl)diethanone (1620088-79-0) → N-[(dimethyl-1,2-oxazol-4-yl)methyl]aniline (733796-14-0)

Guidance literature:

With hydroxylamine; In ethanol; at 20 ℃; for 24h;

DOI:10.1515/chempap-2015-0018

Reference yield:

acetylacetone (123-54-6,81235-32-7) → N-[(dimethyl-1,2-oxazol-4-yl)methyl]aniline (733796-14-0)

Guidance literature:

Multi-step reaction with 2 steps

1: iron(III) chloride / water; dichloromethane / 24 h / 20 °C

2: hydroxylamine / ethanol / 24 h / 20 °C

With iron(III) chloride; hydroxylamine; In ethanol; dichloromethane; water; 1: |Mannich Aminomethylation;

DOI:10.1515/chempap-2015-0018

Reference yield:

aniline (62-53-3) → N-[(dimethyl-1,2-oxazol-4-yl)methyl]aniline (733796-14-0)

Guidance literature:

Multi-step reaction with 2 steps

1: iron(III) chloride / water; dichloromethane / 24 h / 20 °C

2: hydroxylamine / ethanol / 24 h / 20 °C

With iron(III) chloride; hydroxylamine; In ethanol; dichloromethane; water; 1: |Mannich Aminomethylation;

DOI:10.1515/chempap-2015-0018

upstream raw materials:

aniline

1,1'-(1,3-diphenylhexahydropyrimidine-5,5-diyl)diethanone

acetylacetone

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