1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone

Base Information

• Chemical Name: 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone
• CAS No.: 97760-87-7
• Molecular Formula: C9H6BrClF3NO
• Molecular Weight: 316.505
• DSSTox Substance ID: DTXSID00538090
• Wikidata: Q82413310
• Mol file: 97760-87-7.mol

Synonyms:97760-87-7;1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone;1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromo-ethanone;1-(4-AMINO-3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-2-BROMOETHANONE;1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethan-1-one;1-(4-AMINO-3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-2-BROMOETHAN-1-ONE;SCHEMBL5167276;DTXSID00538090;4'-Amino-2-bromo-3'-chloro-5'-(trifluoromethyl)acetophenone;AKOS030254651;F85793

Chemical Property of 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone

Chemical Property:

• PSA: 43.09000
• LogP: 4.09980
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 314.92734
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromo-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(F)(F)F)N)Cl)C(=O)CBr

Technology Process of 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone

There total 4 articles about 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone 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: 70.2%

4'-amino-3'-chloro-5'-trifluoromethyl-acetophenone (97760-76-4) → 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone (97760-87-7)

Guidance literature:

4'-amino-3'-chloro-5'-trifluoromethyl-acetophenone; With copper(ll) bromide; In chloroform; ethyl acetate; at 70 ℃; for 0.5h;

In ethanol; chloroform; ethyl acetate; at 70 ℃; for 2h;

DOI:10.1002/jlcr.3446

Reference yield:

4-amino-3-chloro-5-(trifluoromethyl)benzoic acid (95656-52-3) → 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone (97760-87-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: thionyl chloride / 2 h / Reflux

2.1: magnesium ethylate / tetrahydrofuran; ethanol / 2 h / Reflux

2.2: Reflux

3.1: bromine; acetic acid / 0.5 h / 45 - 50 °C

With thionyl chloride; bromine; magnesium ethylate; acetic acid; In tetrahydrofuran; ethanol;

DOI:10.1002/jlcr.1796

Reference yield:

4-amino-3-chloro-5-trifluoromethyl-benzoyl chloride (63498-15-7) → 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone (97760-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium ethylate / tetrahydrofuran; ethanol / 2 h / Reflux

1.2: Reflux

2.1: bromine; acetic acid / 0.5 h / 45 - 50 °C

With bromine; magnesium ethylate; acetic acid; In tetrahydrofuran; ethanol;

DOI:10.1002/jlcr.1796

upstream raw materials:

4'-amino-3'-chloro-5'-trifluoromethyl-acetophenone

4-amino-3-chloro-5-(trifluoromethyl)benzoic acid

4-amino-3-chloro-5-trifluoromethyl-benzoyl chloride

Downstream raw materials:

1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-(2-benzo[1,3]dioxol-5-yl-1-methyl-ethylamino)-ethanone

1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-(1,1-dimethyl-propylamino)-ethanone

1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-cycloheptylamino-ethanone

1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-cyclobutylamino-ethanone

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 97760-87-7 1-(4-amino-3-chloro-5-(trifluoromethyl)phenyl)-2-bromoethanone

Send

Send

Metric Ton KG G Pound L ML

Send

Send