2-iodo-N-(3-methoxyphenyl)acetamide

Base Information

• Chemical Name: 2-iodo-N-(3-methoxyphenyl)acetamide
• CAS No.: 17641-09-7
• Molecular Formula: C9H10INO2
• Molecular Weight: 291.088
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40170130
• Nikkaji Number: J54.170B
• Wikidata: Q83039993
• Mol file: 17641-09-7.mol

Synonyms:2-iodo-N-(3-methoxyphenyl)acetamide;17641-09-7;m-ACETANISIDIDE, 2-IODO-;2-Iodo-m-acetanisidide;N-(Iodoacetyl)-m-anisidide;BRN 2720729;starbld0036899;SCHEMBL3753125;DTXSID40170130;AKOS014116549;Acetamide, 2-iodo-N-(3-methoxyphenyl)-

Chemical Property of 2-iodo-N-(3-methoxyphenyl)acetamide

Chemical Property:

• Vapor Pressure: 8.88E-07mmHg at 25°C
• Boiling Point: 405.3°C at 760 mmHg
• Flash Point: 198.9°C
• PSA: 41.82000
• Density: 1.76g/cm³
• LogP: 2.71820
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 290.97563
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)NC(=O)CI

Technology Process of 2-iodo-N-(3-methoxyphenyl)acetamide

There total 3 articles about 2-iodo-N-(3-methoxyphenyl)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: 71.0%

2-chloro-N-(3-methoxyphenyl)acetamide (17641-08-6) → N-Jodacetyl-m-anisidid (17641-09-7)

Guidance literature:

With sodium iodide;

DOI:10.1248/cpb.28.2720

Reference yield:

m-Anisidine (536-90-3,918666-97-4) → N-Jodacetyl-m-anisidid (17641-09-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 12 h / 0 - 20 °C

2: potassium iodide / acetone / 6 h / Reflux

With triethylamine; potassium iodide; In dichloromethane; acetone;

DOI:10.1016/j.tetlet.2020.151873

Reference yield:

→ N-Jodacetyl-m-anisidid (17641-09-7)

Guidance literature:

N-Chloracetyl-m-anisidid, NaI;

DOI:10.1021/je60035a042

upstream raw materials:

2-chloro-N-(3-methoxyphenyl)acetamide

m-Anisidine

Downstream raw materials:

1-(3-Methoxy-phenyl)-4-oxy-1H-pyrazin-2-one

2-Hydroxyamino-N-(3-methoxy-phenyl)-acetamide

C₁₆H₁₆N₂O₃

Refernces

• 1、 Mano,Seo,Imai. "Anticoccidials. IV. A convenient synthesis of 2(1H)-pyrazinone 4-oxide derivatives". . p. 2720 - 2733. Retrieved 2007/10/02.