2,6-Dibromo-4-(trifluoromethoxy)aniline

Base Information

• Chemical Name: 2,6-Dibromo-4-(trifluoromethoxy)aniline
• CAS No.: 88149-49-9
• Molecular Formula: C7H4Br2F3NO
• Molecular Weight: 334.918
• Hs Code.: 29222990
• UNII: EQF477YZ64
• DSSTox Substance ID: DTXSID10371612
• Nikkaji Number: J1.638.519K
• Wikidata: Q72465194
• Mol file: 88149-49-9.mol

Synonyms:2,6-Dibromo-4-(trifluoromethoxy)aniline;88149-49-9;2,6-dibromo-4-(trifluoromethoxy)benzenamine;3,5-dibromo-4-aminotrifluoromethoxybenzene;2,6-Dibromo-4-Trifluoromethoxyaniline;Benzenamine, 2,6-dibromo-4-(trifluoromethoxy)-;MFCD00153113;2,6Dibromo-4-(trifluoromethoxy)aniline;Dibromotrifluoro methoxyaniline;EQF477YZ64;2,6-dibromo-4-trifluoromethoxy aniline;C7H4Br2F3NO;2-Amino-1,3-dibromo-5-(trifluoromethoxy)benzene;2,6-Dibromo-4-Trifluoro-Methoxy aniline;3,5-Dibromo-4-amino(trifluoromethoxy)benzene;UNII-EQF477YZ64;SCHEMBL968221;DTXSID10371612;AKOS015854757;CS-W009845;PS-7016;2,6-dibromo-4-trifluoromethoxy-aniline;AC-13858;SY016225;2,6-dibromo-4-(trifluoro-methoxy)ani-line;3,5-dibromo-4-aminotrifluoromethoxy benzene;AM20060909;D3038;FT-0610542;3,5-Dibromo-4-Amino Trifluoromethoxy Benzene

Chemical Property of 2,6-Dibromo-4-(trifluoromethoxy)aniline

Chemical Property:

• Vapor Pressure: 0.0179mmHg at 25°C
• Melting Point: 70-74 °C(lit.)
• Refractive Index: 1.557
• Boiling Point: 253.8 °C at 760 mmHg
• PKA: -0.38±0.10(Predicted)
• Flash Point: 107.3 °C
• PSA: 35.25000
• Density: 2.036 g/cm³
• LogP: 4.27360
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 334.85912
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

2,6-Dibromo-4-(trifluoromethoxy)benzenamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-60-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)N)Br)OC(F)(F)F
• Uses: 2,6-Dibromo-4-(trifluoromethoxy)benzenamine is used in the synthesis of novel pyridylpyrazole acid derivatives in the preparation of agricultural insecticides.

Technology Process of 2,6-Dibromo-4-(trifluoromethoxy)aniline

There total 1 articles about 2,6-Dibromo-4-(trifluoromethoxy)aniline 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: 99.2%

4-(trifluoromethoxy)aniline (461-82-5) → 2,6-dibromo-4-(trifluoromethoxy)aniline (88149-49-9)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; sodium bromide; at 30 - 55 ℃; for 3h; Reagent/catalyst;

Reference yield: 84.6%

2,6-dibromo-4-(trifluoromethoxy)aniline (88149-49-9) + 2-methyl-4-trifluoromethylthiazole-5-carboxylic acid (117724-63-7) → thifluzamide (130000-40-7)

Guidance literature:

With trichlorophosphate; In acetonitrile; at 55 ℃; for 8.5h; Temperature;

Reference yield: 73.0%

2,6-dibromo-4-(trifluoromethoxy)aniline (88149-49-9) + ethyl 2,3-dicyanopropanoate (40497-11-8) → 5-amino-1-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-1H-pyrazole-3-carbonitrile

Guidance literature:

2,6-dibromo-4-(trifluoromethoxy)aniline; With sulfuric acid; acetic acid; sodium nitrite; In water; at 0 - 55 ℃; for 1h;

ethyl 2,3-dicyanopropanoate; With acetic acid; In water; at 5 - 20 ℃; for 2h;

DOI:10.1002/ejoc.202000536

upstream raw materials:

4-(trifluoromethoxy)aniline

Downstream raw materials:

C₁₅H₁₁F₃N₂O

C₂₂H₁₄ClF₃N₂O

2-bromo-4-trifluoromethoxyaniline

2-(2,6-dibromo-4-(trifluoromethoxy)phenyl)acetaldehyde

Refernces

• 1、 -. "Preparation method of 2,6-dibromo-4-trifluoromethoxyaniline". Paragraph 0012; 0022-0027. . Retrieved 2019/03/15.
• 2、 Cheng, Dao-Juan,Wu, Hai-Bian,Tian, Shi-Kai. "Catalytic asymmetric pictet-spengler-type reaction for the synthesis of optically active indolo[3,4-cd][1]benzazepines". supporting information; experimental part. p. 5636 - 5639. Retrieved 2011/12/02.