3-Nitrophenacylamine hydrochloride

Base Information

• Chemical Name: 3-Nitrophenacylamine hydrochloride
• CAS No.: 36765-84-1
• Molecular Formula: C8H8 N2 O3 . Cl H
• Molecular Weight: 216.624
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID40379005
• Mol file: 36765-84-1.mol

Synonyms:3-Nitrophenacylamine hydrochloride;36765-84-1;2-Amino-1-(3-nitrophenyl)ethan-1-one hydrochloride;2-Amino-3'-nitroacetophenone hydrochloride;2-amino-1-(3-nitrophenyl)ethanone;hydrochloride;2-amino-1-(3-nitrophenyl)ethanone Hydrochloride;2-Amino-1-(3-nitrophenyl)ethanone,hydrochloride;SCHEMBL2498992;3-NITROPHENACYLAMINE HCL;DTXSID40379005;BRFUJSROKAAPJT-UHFFFAOYSA-N;2-Amino-3'-nitroacetophenone HCl;MFCD00051997;AKOS005132999;2-amino-1-(3-nitrophenyl)ethan-1-one HCl;2-amino-1-(3-nitrophenyl)ethanone HCl salt;CS-0072529;FT-0611002;N12200;A823361;2-Amino-1-(3-nitrophenyl)ethan-1-one hydrochloride, 2-Amino-3'-nitroacetophenone hydrochloride

Chemical Property of 3-Nitrophenacylamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00122mmHg at 25°C
• Melting Point: 210-212°C (dec.)
• Boiling Point: 299.1°Cat760mmHg
• Flash Point: 134.7°C
• PSA: 88.91000
• Density: g/cm³
• LogP: 2.76170
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.0301698
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

98%, ^*data from raw suppliers

3-Nitrophenacylamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 34-37
• Safety Statements: 7/9-26-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Nitrophenacylamine hydrochloride

There total 7 articles about 3-Nitrophenacylamine hydrochloride 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: 90.0%

1-(m-nitrophenyl)-3,5,7-triaza-1-azoniaadamantane bromide (7478-10-6) → α-amino-m-nitroacetophenone hydrochloride (36765-84-1)

Guidance literature:

With hydrogenchloride; In ethanol; for 72h;

DOI:10.1021/jo00029a057

Reference yield: 85.0%

2-bromo-1-(m-nitrophenyl)ethan-1-one → α-amino-m-nitroacetophenone hydrochloride (36765-84-1)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃; for 72h;

DOI:10.1016/j.ejmech.2013.04.022

Reference yield:

3'-nitro-2-bromoacetophenone (2227-64-7) → α-amino-m-nitroacetophenone hydrochloride (36765-84-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / CHCl₃ / 24 h

2: 90 percent / conc. HCl / aq. ethanol / 72 h

With hydrogenchloride; In ethanol; chloroform;

DOI:10.1021/jo00029a057

upstream raw materials:

1-(m-nitrophenyl)-3,5,7-triaza-1-azoniaadamantane bromide

3'-nitro-2-bromoacetophenone

3-Nitroacetophenone

acetophenone

Downstream raw materials:

2-(2,5-Dimethyl-pyrrol-1-yl)-1-(3-nitro-phenyl)-ethanone

2-amino-1-(3-nitrophenyl)ethan-1-one thiosemicarbazone

(S)-tert-butyl 2-(3-(2-(3-nitrophenyl)-2-oxoethylcarbamoyl)phenylcarbamoyl)pyrrolidine-1-carboxylate

(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[3-(2-{3-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidine-2-amido]phenyl}-1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide

Refernces

• 1、 Hill, Richard K.,Nugara, Peter N.,Holt, Elizabeth M.,Holland, Kathleen P.. "Separation and Stereochemical Assignment of Erythro and Threo Isomers of the m-Nitro Analogue of (+/-)-Chloramphenicol". . p. 1045 - 1047. Retrieved 2007/10/02.
• 2、 REICHERT,BAEGE. "Not available". . p. 451 - 453. Retrieved 2007/10/04.