1-(3-Bromophenyl)-2,2,2-trifluoroethanamine

Base Information

• Chemical Name: 1-(3-Bromophenyl)-2,2,2-trifluoroethanamine
• CAS No.: 843608-45-7
• Molecular Formula: C₈H₇BrF₃N
• Molecular Weight: 254.049
• European Community (EC) Number: 964-157-5
• Mol file: 843608-45-7.mol

Synonyms:1-(3-BROMOPHENYL)-2,2,2-TRIFLUOROETHANAMINE;843608-45-7;1-(3-BROMOPHENYL)-2,2,2-TRIFLUOROETHAN-1-AMINE;1-(3-Bromo-phenyl)-2,2,2-trifluoro-ethylamine;(1S)-1-(3-BROMOPHENYL)-2,2,2-TRIFLUOROETHYLAMINE;878539-31-2;SCHEMBL16881088;WBOABZOPYZNWCX-UHFFFAOYSA-N;MFCD07374616;AKOS015152585;AB39946;AB39949;AB39953;WS-01195;CS-0326300;EN300-142199

Chemical Property of 1-(3-Bromophenyl)-2,2,2-trifluoroethanamine

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 252.97140
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-amine 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(3-Bromophenyl)-2,2,2-trifluoroethanamine

There total 1 articles about 1-(3-Bromophenyl)-2,2,2-trifluoroethanamine 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: 80.0%

m-bromotrifluoroacetone (655-26-5) → 1-(3-bromophenyl)-2,2,2-trifluoroethan-1-amine (843608-45-7,843608-54-8,878539-31-2)

Guidance literature:

m-bromotrifluoroacetone; With lithium hexamethyldisilazane; In tetrahydrofuran; toluene; at 20 ℃; for 0.666667h;

With dimethylsulfide borane complex; In tetrahydrofuran; toluene; at 20 ℃; for 0.5h;

Reference yield:

1-(3-bromophenyl)-2,2,2-trifluoroethan-1-amine (843608-45-7,843608-54-8,878539-31-2) → 2,2,2-trifluoro-N-(2,2,2-trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)acetamide

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 80 °C / Inert atmosphere

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; triethylamine; In 1,4-dioxane; dichloromethane;

Reference yield:

1-(3-bromophenyl)-2,2,2-trifluoroethan-1-amine (843608-45-7,843608-54-8,878539-31-2) → 2,2,2-trifluoro-N-(2,2,2-trifluoro-1-(3-(4-((2-oxopyridin-1(2H)-yl)methyl)benzyl)phenyl)ethyl)acetamide

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 80 °C / Inert atmosphere

3: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / water; 1,4-dioxane / 80 °C / Inert atmosphere

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium acetate; sodium carbonate; triethylamine; In 1,4-dioxane; dichloromethane; water;

upstream raw materials:

m-bromotrifluoroacetone

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