N6-(Trifluoroacetyl)-L-lysine

Base Information

• Chemical Name: N6-(Trifluoroacetyl)-L-lysine
• CAS No.: 10009-20-8
• Molecular Formula: C8H13F3N2O3
• Molecular Weight: 242.198
• Hs Code.: 29241990
• European Community (EC) Number: 600-027-3
• DSSTox Substance ID: DTXSID70142926
• Nikkaji Number: J319.669K
• Wikidata: Q27130601
• Metabolomics Workbench ID: 61433
• Mol file: 10009-20-8.mol

Synonyms:N-epsilon-trifluoro-lysine;N-epsilon-trifluoroacetyl-L-lysine;TFA-lysine

Chemical Property of N6-(Trifluoroacetyl)-L-lysine

Chemical Property:

• Vapor Pressure: 6.55E-07mmHg at 25°C
• Melting Point: 258 °C
• Refractive Index: 1.444
• Boiling Point: 382.5 °C at 760 mmHg
• PKA: 2.51±0.24(Predicted)
• Flash Point: 185.1 °C
• PSA: 92.42000
• Density: 1.333 g/cm³
• LogP: 1.33830
• Storage Temp.: 2-8°C
• Solubility.: 2 M HCl: 10 mg/mL, clear, colorless
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 242.08782677
• Heavy Atom Count: 16
• Complexity: 255

Purity/Quality:

99.1% ^*data from raw suppliers

N6-Trifluoroacetyl-L-lysine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCNC(=O)C(F)(F)F)CC(C(=O)O)N
• Isomeric SMILES: C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N
• Uses: A cysteine conjugate metabolite adduct formation with specific mitochondrial proteins using antibodies raised against halothane metabolite adducts.

Technology Process of N6-(Trifluoroacetyl)-L-lysine

There total 3 articles about N6-(Trifluoroacetyl)-L-lysine 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: 62.0%

ethyl trifluoroacetate, (383-63-1) + L-Lysine hydrochloride (657-27-2,10098-89-2,26124-78-7) → (S)-6-trifluoroacetylamino-2-aminohexanoic acid (10009-20-8,96193-68-9)

Guidance literature:

With sodium; In ethanol; at 5 - 20 ℃;

DOI:10.1134/S1070428007100028

Reference yield: 25.0%

ethyl trifluoroacetate, (383-63-1) + sodium salt of L-lysine (16079-52-0) → (S)-6-trifluoroacetylamino-2-aminohexanoic acid (10009-20-8,96193-68-9) + Nα,Nε-bis(trifluoroacetyl)-L-lysine (329-53-3)

Guidance literature:

In ethanol; at 5 - 20 ℃;

DOI:10.1134/S1070428007100028

Reference yield:

S-ethyl trifluoroacetate (383-64-2) + L-Lysine hydrochloride (657-27-2,10098-89-2,26124-78-7) → (S)-6-trifluoroacetylamino-2-aminohexanoic acid (10009-20-8,96193-68-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/j39660002349

upstream raw materials:

S-ethyl trifluoroacetate

L-Lysine hydrochloride

ethyl trifluoroacetate,

sodium salt of L-lysine

Downstream raw materials:

(2S)-2-{[(benzyloxy)carbonyl]amino}-6-[(trifluoroacetyl)amino]hexanoic acid

N^α-(o-nitrophenylsulfenyl)-N^ε-(trifluoroacetyl)-L-lysine N-hydroxysuccinimide ester

N^α-(o-nitrophenylsulfenyl)-N^ε-(trifluoroacetyl)-L-lysyl-L-leucine methyl ester

N^α-(o-nitrophenylsulfenyl)-N^ε-(trifluoroacetyl)-L-lysyl-L-alanyl-L-alanine methyl ester