2-(2-Methylpropoxy)aniline

Base Information

• Chemical Name: 2-(2-Methylpropoxy)aniline
• CAS No.: 104065-95-4
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922299090
• European Community (EC) Number: 875-175-7
• DSSTox Substance ID: DTXSID90545950
• Metabolomics Workbench ID: 162509
• Wikidata: Q82423603
• Mol file: 104065-95-4.mol

Synonyms:(2-isobutoxyphenyl)amine

Chemical Property of 2-(2-Methylpropoxy)aniline

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Boiling Point: 259.714oC at 760 mmHg
• Flash Point: 108.679oC
• PSA: 35.25000
• Density: 0.998g/cm3
• LogP: 2.88480
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Methylpropoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC1=CC=CC=C1N

Technology Process of 2-(2-Methylpropoxy)aniline

There total 3 articles about 2-(2-Methylpropoxy)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: 100.0%

→ 2-(2-methylpropoxy)benzenamine (104065-95-4)

Guidance literature:

Reference yield:

1-isobutoxy-2-nitrobenzene (56245-02-4) → 2-(2-methylpropoxy)benzenamine (104065-95-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1248/cpb.37.1780

Reference yield:

2-hydroxynitrobenzene (88-75-5,78813-12-4) → 2-(2-methylpropoxy)benzenamine (104065-95-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 90 °C

2: tin(II) chloride dihdyrate / N,N-dimethyl-formamide / 24 h / 20 °C

With tin(II) chloride dihdyrate; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.3390/molecules24152783

upstream raw materials:

1-isobutoxy-2-nitrobenzene

2-hydroxynitrobenzene

Downstream raw materials:

ethyl 1,6-dihydro-2-[2-(2-methylpropoxy)anilino]-6-oxo-5-pyrimidinecarboxylate

N-<2-(2-methoxypropoxy)phenyl>thiourea

1,6-dihydro-2-<2-(2-methylpropoxy)anilino>-6-oxo-5-pyrimidinecarboxylic acid

ethyl 4-chloro-2-<2-(2-methylpropoxy)anilino>-5-pyrimidinecarboxylate