3-(Difluoromethoxy)-4-methylaniline

Base Information

• Chemical Name: 3-(Difluoromethoxy)-4-methylaniline
• CAS No.: 264194-31-2
• Molecular Formula: C₈H₉F₂NO
• Molecular Weight: 173.162
• Hs Code.: 2922190090
• European Community (EC) Number: 867-716-0
• DSSTox Substance ID: DTXSID50656117
• Wikidata: Q82570614
• Mol file: 264194-31-2.mol

Synonyms:3-(difluoromethoxy)-4-methylaniline;264194-31-2;Benzenamine, 3-(difluoromethoxy)-4-methyl-;SCHEMBL7815967;DTXSID50656117;YSPKMFVBKRHCMG-UHFFFAOYSA-N;4-Amino-2-(difluoromethoxy)toluene;MFCD12025429;AKOS009545205;CS-W021773;DS-5638;SB85733;FT-0720057;EN300-77830;A851416;J-510864;Z425864508

Chemical Property of 3-(Difluoromethoxy)-4-methylaniline

Chemical Property:

• Boiling Point: 240.2±35.0 °C(Predicted)
• PKA: 4.08±0.10(Predicted)
• PSA: 35.25000
• Density: 1.208±0.06 g/cm3(Predicted)
• LogP: 2.75980
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 173.06522023
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

3-(Difluoromethoxy)-4-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N)OC(F)F

Technology Process of 3-(Difluoromethoxy)-4-methylaniline

There total 2 articles about 3-(Difluoromethoxy)-4-methylaniline 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: 79.0%

2-(difluoromethoxy)-1-methyl-4-nitrobenzene → 3-(difluoromethoxy)-4-methylaniline (264194-31-2)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; In methanol; water; at 20 ℃;

Reference yield:

2-methyl-5-nitrophenol (5428-54-6) → 3-(difluoromethoxy)-4-methylaniline (264194-31-2)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide / 2 h / 100 °C

2: ammonium chloride; iron / methanol; water / 2 h / 80 °C

With iron; ammonium chloride; caesium carbonate; In methanol; water; N,N-dimethyl-formamide;

Reference yield:

3-(difluoromethoxy)-4-methylaniline (264194-31-2) + phenyl chloroformate (1885-14-9) → phenyl (3-(difluoromethoxy)-4-methylphenyl)carbamate

Guidance literature:

With pyridine; In acetonitrile; at 25 ℃; for 12h;

upstream raw materials:

2-methyl-5-nitrophenol

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