N1-(5-chloro-2-methoxy-4-nitrophenyl)acetamide

Base Information

• Chemical Name: N1-(5-chloro-2-methoxy-4-nitrophenyl)acetamide
• CAS No.: 22521-37-5
• Molecular Formula: C9H9ClN2O4
• Molecular Weight: 244.634
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID20379689
• Wikidata: Q82169609
• Mol file: 22521-37-5.mol

Synonyms:22521-37-5;N-(5-chloro-2-methoxy-4-nitrophenyl)acetamide;N1-(5-chloro-2-methoxy-4-nitrophenyl)acetamide;Acetamide, N-(5-chloro-2-methoxy-4-nitrophenyl)-;SCHEMBL11447660;DTXSID20379689;KQGNEXQCCNUZMT-UHFFFAOYSA-N;2-acetamido-4-chloro-5-nitroanisole;AKOS026676537;FT-0724357;EN300-11686554;F8880-1104

Chemical Property of N1-(5-chloro-2-methoxy-4-nitrophenyl)acetamide

Chemical Property:

• Melting Point: 185 °C
• Boiling Point: 430.2±45.0 °C(Predicted)
• PKA: 12.61±0.70(Predicted)
• PSA: 87.64000
• Density: 1.436±0.06 g/cm3(Predicted)
• LogP: 3.38790
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 244.0250845
• Heavy Atom Count: 16
• Complexity: 281

Purity/Quality:

95% ^*data from raw suppliers

N1-(5-CHLORO-2-METHOXY-4-NITROPHENYL)ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1OC)[N+](=O)[O-])Cl

Technology Process of N1-(5-chloro-2-methoxy-4-nitrophenyl)acetamide

There total 4 articles about N1-(5-chloro-2-methoxy-4-nitrophenyl)acetamide 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:

5-chloro-2-methoxy-acetanilide (7463-32-3) → N-acetyl-5-chloro-4-nitro-2-anisidine (22521-37-5)

Guidance literature:

With sulfuric acid; nitric acid; at 20 - 25 ℃;

Reference yield:

acetic anhydride (108-24-7) + 5-chloro-2-methoxyaniline (95-03-4) → N-acetyl-5-chloro-4-nitro-2-anisidine (22521-37-5)

Guidance literature:

With nitrobenzene; anschliessendes Erwaermen mit Salpetersaeure;

Reference yield:

4-chloro-2-nitroanisole (89-21-4) → N-acetyl-5-chloro-4-nitro-2-anisidine (22521-37-5)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; iron

2: durch Acetylieren

3: sulfuric acid; nitric acid / 20 - 25 °C

With hydrogenchloride; sulfuric acid; nitric acid; iron;

upstream raw materials:

5-chloro-2-methoxy-acetanilide

acetic anhydride

5-chloro-2-methoxyaniline

4-chloro-2-nitroanisole

Downstream raw materials:

5-chloro-2-methoxy-4-nitroaniline

2-chloro-5-methoxy-1,4-phenylenediamine

acetic acid-(4-amino-5-chloro-2-methoxy-anilide)

bis-(5-acetylamino-4-methoxy-2-nitro-phenyl)-disulfide