3-Nitrotyramine

Base Information

• Chemical Name: 3-Nitrotyramine
• CAS No.: 49607-15-0
• Molecular Formula: C8H10N2O3
• Molecular Weight: 182.179
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID50596867
• Metabolomics Workbench ID: 65532
• Nikkaji Number: J2.370.684I
• Wikidata: Q27139458
• Mol file: 49607-15-0.mol

Synonyms:3-nitrotyramine

Chemical Property of 3-Nitrotyramine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 217 °C (decomp)
• Boiling Point: 326.785oC at 760 mmHg
• PKA: 6.53±0.35(Predicted)
• Flash Point: 151.434oC
• PSA: 92.07000
• Density: 1.338g/cm3
• LogP: 2.02510
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 182.06914219
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

3-Nitrotyramine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCN)[N+](=O)[O-])O

Technology Process of 3-Nitrotyramine

There total 4 articles about 3-Nitrotyramine 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: 90.3%

tyrosamine (51-67-2) → 3-nitrotyramine (49607-15-0)

Guidance literature:

With nitric acid; In water; at 20 ℃; for 0.166667h;

DOI:10.3390/molecules19068039

Reference yield:

tyrosamine (51-67-2) → 3-nitrotyramine (49607-15-0) + 4-(2-amino-ethyl)-2,6-dinitro-phenol

Guidance literature:

With nitric acid; at 0 ℃; dann bei Raumtemperatur;

Reference yield:

tyramine hydrochloride (60-19-5) → 3-nitrotyramine (49607-15-0)

Guidance literature:

With nitric acid; trifluoroacetic acid; at 0 - 25 ℃;

DOI:10.1002/chem.201901828

upstream raw materials:

tyrosamine

nitric acid

tyramine hydrochloride

Downstream raw materials:

2-(4-(benzyloxy)-3-nitrophenyl)ethanamine

3-amino-4-hydroxyphenylethylamine

Refernces

• 1、 -. "AFFINITY-ASSISTED PROTEIN MODIFICATION AND RECYCLING". Paragraph 0228. . Retrieved 2016/08/17.
• 2、 Nicolis, Stefania,Pennati, Andrea,Perani, Eleonora,Monzani, Enrico,Sanangelantoni, Anna Maria,Casella, Luigi. "Easy oxidation and nitration of human myoglobin by nitrite and hydrogen peroxide". . p. 749 - 757. Retrieved 2007/10/03.