2-Amino-1-(4-nitrophenyl)ethanone;chloride

Base Information

• Chemical Name: 2-Amino-1-(4-nitrophenyl)ethanone;chloride
• CAS No.: 5425-81-0
• Molecular Formula: C8H9ClN2O3
• Molecular Weight: 216.624
• Hs Code.: 2922399090
• NSC Number: 13904
• Mol file: 5425-81-0.mol

Synonyms:NSC13904;NSC-13904;AKOS002303380

Chemical Property of 2-Amino-1-(4-nitrophenyl)ethanone;chloride

Chemical Property:

• Vapor Pressure: 9.39E-05mmHg at 25°C
• Melting Point: 134 °C
• Boiling Point: 339.1 °C at 760 mmHg
• Flash Point: 158.9 °C
• PSA: 88.91000
• Density: 1.32 g/cm³
• LogP: 2.76170
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 215.0223448
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

2-amino-1-(4-nitrophenyl)ethanone hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CN)[N+](=O)[O-].[Cl-]

Technology Process of 2-Amino-1-(4-nitrophenyl)ethanone;chloride

There total 7 articles about 2-Amino-1-(4-nitrophenyl)ethanone;chloride 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%

(4-nitrophenacyl)hexaminium bromide (88260-40-6) → 2-amino-1-(4-nitrophenyl)ethanone hydrochloride (5425-81-0)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 24h;

DOI:10.1055/a-1655-6078

Reference yield: 89.0%

4-Nitrophenacyl bromide (99-81-0) → 2-amino-1-(4-nitrophenyl)ethanone hydrochloride (5425-81-0)

Guidance literature:

4-Nitrophenacyl bromide; With hexamethylenetetramine; In dichloromethane; at 20 ℃; for 14h;

With hydrogenchloride; In water; at 20 ℃; for 3h;

Reference yield: 88.0%

(R)-N-tert-butanesulfinyl 2-(4-nitrophenyl)-2-oxoethylamine (1386376-84-6) → 2-amino-1-(4-nitrophenyl)ethanone hydrochloride (5425-81-0)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 1h;

DOI:10.1021/jo300752c

upstream raw materials:

4-Nitrophenacyl bromide

(4-nitrophenyl)ethanone

(R)-N-tert-butanesulfinyl 2-(4-nitrophenyl)-2-oxoethylamine

C₈H₆BrNO₃*C₆H₁₂N₄

Downstream raw materials:

2-(2,4-dioxo-imidazolidin-1-ylimino)-N-[2-(4-nitro-phenyl)-2-oxo-ethyl]-acetamide

ethyl 5-(4-nitrophenyl)oxazole-2-carboxylate

ethyl 5-(4-nitrophenyl)thiazole-2-carboxylate

5-(4-nitrophenyl)thiazole-2-carboxylic acid

Refernces

• 1、 Mori, Matteo,Stelitano, Giovanni,Chiarelli, Laurent R.,Cazzaniga, Giulia,Gelain, Arianna,Barlocco, Daniela,Pini, Elena,Meneghetti, Fiorella,Villa, Stefania. "Synthesis, characterization, and biological evaluation of new derivatives targeting MbtI as antitubercular agents". . p. 1 - 17. Retrieved 2021/02/26.
• 2、 -. "READ-THROUGH INDUCER AND PHARMACEUTICAL USE THEREOF". Paragraph 0403-0407. . Retrieved 2020/08/04.