2,2,2-Trifluoro-N-[(2R)-1-phenylpropan-2-yl]acetamide

Base Information

• Chemical Name: 2,2,2-Trifluoro-N-[(2R)-1-phenylpropan-2-yl]acetamide
• CAS No.: 57573-45-2
• Molecular Formula: C11H12F3NO
• Molecular Weight: 231.218
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90564944
• Nikkaji Number: J517.339F
• Mol file: 57573-45-2.mol

Synonyms:57573-45-2;2,2,2-Trifluoro-N-[(2R)-1-phenylpropan-2-yl]acetamide;(R)-2,2,2-Trifluoro-N-(1-phenylpropan-2-yl)acetamide;N-Trifluoroacetyl (R)-Amphetamine;starbld0008106;r-N-trifluoroacetylamphetamine;SCHEMBL4462033;DTXSID90564944;2,2,2-Trifluoro-N-[(1R)-1-methyl-2-phenylethyl]acetamide;(R)-2,2,2-trifluoro-N-(1-methyl-2-phenylethyl)acetamide

Chemical Property of 2,2,2-Trifluoro-N-[(2R)-1-phenylpropan-2-yl]acetamide

Chemical Property:

• PSA: 32.59000
• LogP: 3.13640
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 231.08709849
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)NC(=O)C(F)(F)F
• Isomeric SMILES: C[C@H](CC1=CC=CC=C1)NC(=O)C(F)(F)F
• Uses: Protected Amphetamine derivative

Technology Process of 2,2,2-Trifluoro-N-[(2R)-1-phenylpropan-2-yl]acetamide

There total 13 articles about 2,2,2-Trifluoro-N-[(2R)-1-phenylpropan-2-yl]acetamide 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: 91.0%

(2S)-3-phenyl-2-[(trifluoroacetyl)amino]propyl methanesulfonate → 2,2,2-trifluoro-N-[(1R)-1-methyl-2-phenylethyl]acetamide (57573-45-2)

Guidance literature:

With acetic acid; sodium iodide; zinc; In 1,2-dimethoxyethane; for 1.5h; Reflux;

DOI:10.1021/jm8000345

Reference yield: 90.0%

(4S,1'R,2'R)-4-cyclohexyl-(2'-trifluoroacetamido-1'-phenylpropoxy)but-1-ene (143143-17-3) → 2,2,2-trifluoro-N-[(1R)-1-methyl-2-phenylethyl]acetamide (57573-45-2) + (S)-1-cyclohexylbut-3-en-1-ol (69036-26-6,85029-11-4,94340-22-4,106756-93-8)

Guidance literature:

With ammonia; sodium; In tetrahydrofuran;

Reference yield: 82.0%

N-[(1R,2R)-2-((S)-1-tert-Butyl-but-3-enyloxy)-1-methyl-2-phenyl-ethyl]-2,2,2-trifluoro-acetamide → 2,2,2-trifluoro-N-[(1R)-1-methyl-2-phenylethyl]acetamide (57573-45-2) + (3S)-2,2-dimethyl-5-hexen-3-ol (67760-86-5)

Guidance literature:

With ammonia; sodium; In tetrahydrofuran;

upstream raw materials:

ethyl trifluoroacetate,

l-amphetamine

2,2,2-Trifluoro-N-[(1R,2R)-1-methyl-2-((R)-1-methyl-but-3-enyloxy)-2-phenyl-ethyl]-acetamide

(4R,1'R,2'R)-4-(2'-trifluoroacetamido-1'-phenylpropoxy)hex-1-ene

Downstream raw materials:

2,2,2-trifluoro-N-[(1R)-2-(4-iodophenyl)-1-methylethyl]acetamide

methyl (R)-2-hydroxy-5-[[4-[2-[(trifluoroacetyl)amino]propyl]phenyl]sulfonyl]benzoate

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