3-(2-bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic Acid

Base Information

• Chemical Name: 3-(2-bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic Acid
• CAS No.: 117291-11-9
• Molecular Formula: C₁₁H₉BrF₃NO₃
• Molecular Weight: 340.097
• DSSTox Substance ID: DTXSID101180183
• Mol file: 117291-11-9.mol

Synonyms:117291-11-9;3-(2-bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic Acid;3-(2-bromophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid;DTXSID101180183;MFCD04125168;AKOS005089492;3T-0659;SR-01000307283;SR-01000307283-1;3-(2-bromophenyl)-3-(2,2,2-trifluoroacetamido)propanoicacid;2-Bromo-beta-[(2,2,2-trifluoroacetyl)amino]benzenepropanoic acid

Chemical Property of 3-(2-bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic Acid

Chemical Property:

• Boiling Point: 445.1±45.0 °C(Predicted)
• PKA: 3.85±0.10(Predicted)
• Density: 1.653±0.06 g/cm3(Predicted)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 338.97179
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

3-(2-Bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(CC(=O)O)NC(=O)C(F)(F)F)Br

Technology Process of 3-(2-bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic Acid

There total 2 articles about 3-(2-bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic Acid 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-amino-3-(2-bromo-phenyl)-propionic acid (117391-48-7,737751-95-0) + trifluoroacetic anhydride (407-25-0) → 3-(2-bromophenyl)-3-trifluoroacetylaminopropanoic acid (117291-11-9)

Guidance literature:

With trifluoroacetic acid; for 0.5h; Heating;

Reference yield:

ortho-bromobenzaldehyde (6630-33-7) → 3-(2-bromophenyl)-3-trifluoroacetylaminopropanoic acid (117291-11-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate / ethanol / 6 h / Heating

2: trifluoroacetic acid / 0.5 h / Heating

With ammonium acetate; trifluoroacetic acid; In ethanol;

Reference yield:

3-(2-bromophenyl)-3-trifluoroacetylaminopropanoic acid (117291-11-9) → 3-(2-Bromo-phenyl)-3-(2,2,2-trifluoro-acetylamino)-propionyl chloride (117291-28-8)

Guidance literature:

With thionyl chloride; In benzene; for 0.5h; Heating;

upstream raw materials:

3-amino-3-(2-bromo-phenyl)-propionic acid

trifluoroacetic anhydride

ortho-bromobenzaldehyde

Downstream raw materials:

3-(2-Bromo-phenyl)-3-(2,2,2-trifluoro-acetylamino)-propionyl chloride

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 117291-11-9 3-(2-BROMOPHENYL)-3-[(2,2,2-TRIFLUOROACETYL)AMINO]PROPANOIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send