n-Acetyl-3,5-dinitrotyrosine

Base Information

• Chemical Name: n-Acetyl-3,5-dinitrotyrosine
• CAS No.: 20767-00-4
• Molecular Formula: C₁₁H₁₁N₃O₈
• Molecular Weight: 313.224
• Hs Code.: 2924299090
• NSC Number: 83259
• Mol file: 20767-00-4.mol

Synonyms:n-acetyl-3,5-dinitrotyrosine;NSC83259;NCIOpen2_009100;MFCD00548579;NSC-83259;STK639546;AKOS002286699;AKOS016045031;FT-0638041;1-(2-Methylaminopropyl)-3-adamantanolhydrochloride

Chemical Property of n-Acetyl-3,5-dinitrotyrosine

Chemical Property:

• Vapor Pressure: 1.92E-14mmHg at 25°C
• Melting Point: 189-190 °C
• Refractive Index: 1.635
• Boiling Point: 583.17 °C at 760 mmHg
• PKA: 2.80±0.10(Predicted)
• Flash Point: 306.49 °C
• PSA: 178.27000
• Density: 1.608 g/cm³
• LogP: 1.77770
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 313.05461432
• Heavy Atom Count: 22
• Complexity: 447

Purity/Quality:

99.9% ^*data from raw suppliers

N-Acetyl-3,5-dinitro-L-tyrosine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O
• Uses: N-Acetyl-3,5-dinitro-L-tyrosine is a pepsin inhibitor and have been used to study the hydrolysis actions of the substrate-binding region of the active center of the enzyme.

Technology Process of n-Acetyl-3,5-dinitrotyrosine

There total 4 articles about n-Acetyl-3,5-dinitrotyrosine 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:

N-acetyl-L-tyrosine (537-55-3) → 3.5-Dinitro-N-acetyl-L-tyrosin (20767-00-4)

Guidance literature:

With sulfuric acid; nitric acid; acetic acid;

DOI:10.1021/jo01129a014

Reference yield:

L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) → 3.5-Dinitro-N-acetyl-L-tyrosin (20767-00-4)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃+H₂SO₄

2: aq. NaOH solution

With sodium hydroxide; sulfuric acid; nitric acid;

Reference yield:

NSC 80662 (17360-11-1) + acetic anhydride (108-24-7) → 3.5-Dinitro-N-acetyl-L-tyrosin (20767-00-4)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

N-acetyl-L-tyrosine

NSC 80662

acetic anhydride

L-tyrosine

Downstream raw materials:

N-acetyl-3,5-dinitro-L-tyrosine ethyl ester

3.5-dinitro-O'-methyl-N-acetyl-L-thyronine ethyl ester

N-acetyl-O-(4-methoxyphenyl)-3,5-diiodo-L-tyrosine ethyl ester

3.5-diamino-O'-methyl-N-acetyl-L-thyronine ethyl ester