cis-2-fluorocyclopropyl)-N-((R)-1-phenylethyl)acetamide

Base Information

• Chemical Name: cis-2-fluorocyclopropyl)-N-((R)-1-phenylethyl)acetamide
• CAS No.: 127199-12-6
• Molecular Formula: C13H16FNO
• Molecular Weight: 221.2706432
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID001179167
• Mol file: 127199-12-6.mol

Synonyms:cis-2-fluorocyclopropyl)-N-((R)-1-phenylethyl)acetamide;(1R,2R)-2-Fluoro-N-[(1R)-1-phenylethyl]cyclopropanecarboxamide;(1R,2R)-2-FLUORO-N-[(1R)-1-PHENYLETHYL]CYCLOPROPANE-1-CARBOXAMIDE;SCHEMBL14244992;DTXSID001179167;CS3294;MFCD27501021;AKOS025212728

Chemical Property of cis-2-fluorocyclopropyl)-N-((R)-1-phenylethyl)acetamide

Chemical Property:

• Boiling Point: 382.7±41.0 °C(Predicted)
• PKA: 14.99±0.40(Predicted)
• Density: 1.14±0.1 g/cm3(Predicted)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 207.105942232
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

99.5% ^*data from raw suppliers

cis-2-Fluorocyclopropyl)-N-((R)-1-phenylethyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)C2CC2F
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2C[C@H]2F

Technology Process of cis-2-fluorocyclopropyl)-N-((R)-1-phenylethyl)acetamide

There total 3 articles about cis-2-fluorocyclopropyl)-N-((R)-1-phenylethyl)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: 25.0%

(R)-1-phenyl-ethyl-amine (3886-69-9) + (±)-cis-2-fluorocyclopropanecarboxylic acid (167073-07-6,167073-08-7) → (1R,2R)-2-Fluoro-cyclopropanecarboxylic acid ((R)-1-phenyl-ethyl)-amide (127199-12-6,167073-06-5) + (1S,2S)-2-Fluoro-cyclopropanecarboxylic acid ((R)-1-phenyl-ethyl)-amide (127199-12-6,167073-06-5)

Guidance literature:

With 1,1'-carbonyldiimidazole; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1021/jm00046a019

Reference yield: 25.0%

(R)-1-phenyl-ethyl-amine (3886-69-9) + (±)-cis-2-fluorocyclopropanecarboxylic acid (167073-07-6,167073-08-7) → (1R,2R)-2-Fluoro-cyclopropanecarboxylic acid ((R)-1-phenyl-ethyl)-amide (127199-12-6,167073-06-5) + (1S,2S)-2-Fluoro-cyclopropanecarboxylic acid ((R)-1-phenyl-ethyl)-amide (127199-12-6,167073-06-5)

Guidance literature:

With 1,1'-carbonyldiimidazole; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1021/jm00046a019

Reference yield:

(R)-1-phenyl-ethyl-amine (3886-69-9) + (+/-)-trans-2-fluorocyclopropanecarboxylic acid (105919-34-4,127199-13-7,127199-14-8,130340-04-4,149326-84-1,167073-07-6,167073-08-7) → 2-Fluoro-cyclopropanecarboxylic acid ((R)-1-phenyl-ethyl)-amide (127199-12-6,167073-06-5)

Guidance literature:

With 1,1'-carbonyldiimidazole; In tetrahydrofuran; for 3h; Yield given; Ambient temperature;

DOI:10.1021/jm00046a019

upstream raw materials:

(R)-1-phenyl-ethyl-amine

(+/-)-trans-2-fluorocyclopropanecarboxylic acid

(±)-cis-2-fluorocyclopropanecarboxylic acid

Downstream raw materials:

(1S,2S)-2-fluorocyclopropane-1-carboxylic acid

(1R,2R)-(-)-cis-2-fluoro-cyclopropanecarboxylic acid

Refernces