(2S)-6-amino-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-(2,2,2-trifluoroacetyl)amino]hexanoic acid

Base Information

• Chemical Name: (2S)-6-amino-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-(2,2,2-trifluoroacetyl)amino]hexanoic acid
• CAS No.: 130414-30-1
• Molecular Formula: C20H27 F3 N2 O5
• Molecular Weight: 432.44
• DSSTox Substance ID: DTXSID60584194
• Wikidata: Q82475824
• Mol file: 130414-30-1.mol

Synonyms:(2S)-6-amino-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-(2,2,2-trifluoroacetyl)amino]hexanoic acid;QKGKAQLXEOARHX-HOTGVXAUSA-N;SCHEMBL6154625;DTXSID60584194;(S)-(-)-1-[N-(1-Ethoxycarbonyl-3-phenylpropyl)-N-trifluoroacetyl]-L-lysine, 97%;N~2~-[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]-N~2~-(trifluoroacetyl)-L-lysine

Chemical Property of (2S)-6-amino-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-(2,2,2-trifluoroacetyl)amino]hexanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 133-138 °C(lit.)
• Refractive Index: 1.495
• Boiling Point: 587°Cat760mmHg
• Flash Point: 308.8°C
• PSA: 109.93000
• Density: 1.234g/cm³
• LogP: 3.22430
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 432.18720645
• Heavy Atom Count: 30
• Complexity: 565

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)-(?)-1-[N-(1-Ethoxycarbonyl-3-phenylpropyl)-N-trifluoroacetyl]-L-lysine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCC1=CC=CC=C1)N(C(CCCCN)C(=O)O)C(=O)C(F)(F)F
• Isomeric SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N([C@@H](CCCCN)C(=O)O)C(=O)C(F)(F)F

Technology Process of (2S)-6-amino-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-(2,2,2-trifluoroacetyl)amino]hexanoic acid

There total 1 articles about (2S)-6-amino-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-(2,2,2-trifluoroacetyl)amino]hexanoic acid 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: 94.0%

→ N2-(1(S)-ethoxycarbonyl-3-cyclohexylpropyl)-N6-trifluoroacetyl-L-lysine (488760-32-3) + N2-(1(R)-ethoxycarbonyl-3-phenylpropyl)-N6-trifluoroacetyl-L-lysine (130414-30-1) + N2-[1-(S)-ethoxycarbonyl-3-phenylpropyl]-N6-trifluoroacetyl-L-lysine (116169-90-5)

Guidance literature:

Purification / work up;

Refernces