1-[2-Amino-4-(trifluoromethyl)phenyl]-3,3-dimethylazetidin-2-one

Base Information

• Chemical Name: 1-[2-Amino-4-(trifluoromethyl)phenyl]-3,3-dimethylazetidin-2-one
• CAS No.: 861881-17-6
• Molecular Formula: C₁₂H₁₃F₃N₂O
• Molecular Weight: 258.243
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID701172843
• Mol file: 861881-17-6.mol

Synonyms:1-[2-Amino-4-(trifluoromethyl)phenyl]-3,3-dimethylazetidin-2-one;861881-17-6;1-(2-amino-4-(trifluoromethyl)phenyl)-3,3-dimethylazetidin-2-one;SCHEMBL5492768;DTXSID701172843;CS-0459216;2-amino-4-(trifluoromethyl)phenyl-3,3-dimethylazetidin-2-one;1-[2-Amino-4-(trifluoromethyl)phenyl]-3,3-dimethyl-2-azetidinone

Chemical Property of 1-[2-Amino-4-(trifluoromethyl)phenyl]-3,3-dimethylazetidin-2-one

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.09799753
• Heavy Atom Count: 18
• Complexity: 354

Purity/Quality:

1-[2-Amino-4-(trifluoromethyl)phenyl]-3,3-dimethylazetidin-2-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1(CN(C1=O)C2=C(C=C(C=C2)C(F)(F)F)N)C

Technology Process of 1-[2-Amino-4-(trifluoromethyl)phenyl]-3,3-dimethylazetidin-2-one

There total 4 articles about 1-[2-Amino-4-(trifluoromethyl)phenyl]-3,3-dimethylazetidin-2-one 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:

3,3-dimethyl-1-(2-nitro-4-trifluoromethyl-phenyl)-azetidin-2-one (861881-16-5) → 1-(2-amino-4-(trifluoromethyl)phenyl)-3,3-dimethylazetidin-2-one (861881-17-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; ethyl acetate; for 24h;

DOI:10.1021/jm0605482

Reference yield:

3-chloro-2,2-dimethyl-N-(2-nitro-4-(trifluoromethyl)phenyl)propanamide (913067-92-2) → 1-(2-amino-4-(trifluoromethyl)phenyl)-3,3-dimethylazetidin-2-one (861881-17-6)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / 72 h / 50 °C

2: 1.75 g / H₂ / Pd/C / methanol; ethyl acetate / 24 h

With hydrogen; potassium carbonate; palladium on activated charcoal; In methanol; ethyl acetate; acetone;

DOI:10.1021/jm0605482

Reference yield:

3-Chloropivaloyl chloride (4300-97-4) → 1-(2-amino-4-(trifluoromethyl)phenyl)-3,3-dimethylazetidin-2-one (861881-17-6)

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / CH₂Cl₂ / 24 h / 35 °C

2: K₂CO₃ / acetone / 72 h / 50 °C

3: 1.75 g / H₂ / Pd/C / methanol; ethyl acetate / 24 h

With hydrogen; potassium carbonate; triethylamine; palladium on activated charcoal; In methanol; dichloromethane; ethyl acetate; acetone;

DOI:10.1021/jm0605482

upstream raw materials:

3,3-dimethyl-1-(2-nitro-4-trifluoromethyl-phenyl)-azetidin-2-one

3-chloro-2,2-dimethyl-N-(2-nitro-4-(trifluoromethyl)phenyl)propanamide

3-Chloropivaloyl chloride

4-trifluoromethyl-2-nitroaniline

Downstream raw materials:

N-(2-(3,3-dimethyl-2-oxoazetidin-1-yl)-5-(trifluoromethyl)phenyl)-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 861881-17-6 1-[2-Amino-4-(trifluoromethyl)phenyl]-3,3-dimethylazetidin-2-one

Send

Send

Metric Ton KG G Pound L ML

Send

Send