5-Methoxy-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

Base Information

• Chemical Name: 5-Methoxy-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
• CAS No.: 1709-65-5
• Molecular Formula: C8H10F3NO5
• Molecular Weight: 257.1639
• NSC Number: 156968
• DSSTox Substance ID: DTXSID40303148

Synonyms:1709-65-5;NSC156968;DTXSID40303148;NSC-156968;5-Methoxy-5-oxo-4-(2,2,2-trifluoroacetamido)pentanoic acid (non-preferred name)

Chemical Property of 5-Methoxy-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

Chemical Property:

• Vapor Pressure: 6.53E-07mmHg at 25°C
• Boiling Point: 382.5°Cat760mmHg
• Flash Point: 185.1°C
• Density: 1.417g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 257.05110691
• Heavy Atom Count: 17
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CCC(=O)O)NC(=O)C(F)(F)F

Technology Process of 5-Methoxy-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

There total 5 articles about 5-Methoxy-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoic 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: 88.0%

γ-OBzl-N-Tfa-L-Glu-OMe (84369-01-7) → N-Tfa-L-Glu-OMe (23403-47-6,1709-65-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 1h;

Reference yield:

N-Tfa-L-Glu-OMe-γ-Dcha Salt (84344-29-6) → N-Tfa-L-Glu-OMe (23403-47-6,1709-65-5)

Guidance literature:

With hydrogenchloride; Yield given;

DOI:10.1016/S0040-4039(00)88671-2

Reference yield:

L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → N-Tfa-L-Glu-OMe (23403-47-6,1709-65-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent

2: 0.03 h / Heating

DOI:10.1016/S0040-4039(00)88671-2

upstream raw materials:

methanol

(S)-N-(2,6-dioxotetrahydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide

γ-OBzl-N-Tfa-L-Glu-OMe

N-Tfa-L-Glu-OMe-γ-Dcha Salt

Downstream raw materials:

(S)-4-((R)-1-Methoxycarbonyl-2-{(R)-2-methoxycarbonyl-2-[(S)-4-methoxycarbonyl-4-(2,2,2-trifluoro-acetylamino)-butyrylamino]-ethyldisulfanyl}-ethylcarbamoyl)-2-(2,2,2-trifluoro-acetylamino)-butyric acid methyl ester

(S)-4-((R)-2-Mercapto-1-methoxycarbonyl-ethylcarbamoyl)-2-(2,2,2-trifluoro-acetylamino)-butyric acid methyl ester

N-(γ-N-Tfa-L-Glu)-L-Glu-L-Glu-tetra-OMe

N-(γ-N-Tfa-L-Glu-α-OMe)-L-Glu-L-Glu-OMe

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