n,3,5-Trimethylaniline

Base Information

• Chemical Name: n,3,5-Trimethylaniline
• CAS No.: 13342-20-6
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• DSSTox Substance ID: DTXSID90495224
• Nikkaji Number: J1.052.985I
• Wikidata: Q82343196
• Mol file: 13342-20-6.mol

Synonyms:n,3,5-trimethylaniline;13342-20-6;Benzenamine, N,3,5-trimethyl-;3,5,N-Trimethylaniline;MFCD00087938;SCHEMBL1360610;DTXSID90495224;AKOS000259624;FT-0761121;EN300-58415;AB01003807-01

Chemical Property of n,3,5-Trimethylaniline

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 90.9

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)NC)C

Technology Process of n,3,5-Trimethylaniline

There total 15 articles about n,3,5-Trimethylaniline 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: 92.0%

3,5-dimethylphenyl isocyanate (54132-75-1) → N-methyl-3,5-dimethylaniline (13342-20-6)

Guidance literature:

With tris(pentafluorophenyl)borate; diphenylsilane; In dichloromethane; at 75 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.06.066

Reference yield: 87.0%

1-(azidomethyl)-3,5-dimethylbenzene (222716-36-1) → N-methyl-3,5-dimethylaniline (13342-20-6)

Guidance literature:

With triethylsilane; tin(IV) chloride; In dichloromethane; at 0 - 5 ℃;

DOI:10.1016/S0040-4039(99)00148-3

Reference yield: 85.0%

methanol (67-56-1) + 5-nitro-m-xylene (99-12-7) → N-methyl-3,5-dimethylaniline (13342-20-6)

Guidance literature:

With C₂₄H₃₂N₃P; palladium diacetate; potassium hydroxide; at 110 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201814146

upstream raw materials:

N-methyl-N-(3,5-dimethylphenyl)-4-toluenesulfonamide

1-(azidomethyl)-3,5-dimethylbenzene

formic acid

3,5-dimethylaminoaniline

Downstream raw materials:

N-(3,5-dimethylphenyl)-N-methylmethacrylamide