(S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine

Base Information

• Chemical Name: (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine
• CAS No.: 161754-60-5
• Molecular Formula: C10H11F2N
• Molecular Weight: 183.201
• Hs Code.: 2925290090
• European Community (EC) Number: 679-867-8
• DSSTox Substance ID: DTXSID80426547
• Mol file: 161754-60-5.mol

Synonyms:161754-60-5;(S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine;2,2-Difluoro-N-[(1S)-1-phenylethyl]ethanimine;(S)-N-(2,2-Difluoroethylidene)-1-phenylethanamine;DTXSID80426547;MOMZKLAUXURNPG-QMMMGPOBSA-N;AKOS006237426;AKOS015852903;J-009856;(S,E)-N-(2,2-difluoroethylidene)-1-phenylethanamine;(1E)-2,2-Difluoro-N-[(1S)-1-phenylethyl]ethan-1-imine;(2,2-DIFLUOROETHYLIDENE)[(1S)-1-PHENYLETHYL]AMINE

Chemical Property of (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine

Chemical Property:

• Vapor Pressure: 0.208mmHg at 25°C
• Refractive Index: -85 ° (C=1.5, MeOH)
• Boiling Point: 216.2 °C at 760 mmHg
• PKA: 3.36±0.50(Predicted)
• Flash Point: 84.6 °C
• PSA: 12.36000
• Density: 1.09 g/cm³
• LogP: 3.08350
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 183.08595568
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-N-(2,2-Difluoroethylidene)-1-phenylethanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N=CC(F)F
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)N=CC(F)F

Technology Process of (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine

There total 1 articles about (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine 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:

(S)-1-phenyl-ethylamine (2627-86-3) + 1-ethoxy-2,2-difluoroethanol (148992-43-2) → C10H11F2N (161754-60-5)

Guidance literature:

In toluene; Reflux;

DOI:10.1002/adsc.201000843

Reference yield: 99.0%

(furan-2-yloxy)-trimethylsilane (61550-02-5) + C10H11F2N (161754-60-5) → C14H15F2NO2 (1292820-60-0)

Guidance literature:

(furan-2-yloxy)-trimethylsilane; C₁₀H₁₁F₂N; With ethanol; silver(I) acetate; (aS)-tBu-BinaphPHOX; In tetrahydrofuran; at -78 ℃; for 7h; Molecular sieve;

With acetic acid; In tetrahydrofuran; methanol; at -78 ℃; for 2h; enantioselective reaction;

DOI:10.1002/adsc.201000843

upstream raw materials:

(S)-1-phenyl-ethylamine

1-ethoxy-2,2-difluoroethanol

Downstream raw materials:

C₁₄H₁₅F₂NO₂

Refernces