Acetanilide, 3'-chloro-2-iodo-

Base Information

• Chemical Name: Acetanilide, 3'-chloro-2-iodo-
• CAS No.: 17641-03-1
• Molecular Formula: C8H7ClINO
• Molecular Weight: 295.507
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50170126
• Nikkaji Number: J54.149D
• Wikidata: Q83039987
• Mol file: 17641-03-1.mol

Synonyms:N-(3-chlorophenyl)-2-iodoacetamide;17641-03-1;ACETANILIDE, 3'-CHLORO-2-IODO-;3'-Chloro-2-iodoacetanilide;BRN 2831842;C8H7ClINO;C8-H7-Cl-I-N-O;DTXSID50170126;ACETANILIDE,3-CHLORO-2-IODO-;AKOS003107425;n-(3-chloro-phenyl)-2-iodo-acetamide;Acetamide, N-(3-chlorophenyl)-2-iodo-

Chemical Property of Acetanilide, 3'-chloro-2-iodo-

Chemical Property:

• Vapor Pressure: 1.43E-06mmHg at 25°C
• Boiling Point: 398.9°Cat760mmHg
• PKA: 12.23±0.70(Predicted)
• Flash Point: 195°C
• PSA: 32.59000
• Density: 1.927g/cm³
• LogP: 3.36300
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 294.92609
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

N-(3-CHLORO-PHENYL)-2-IODO-ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetanilide, 3'-chloro-2-iodo-

There total 4 articles about Acetanilide, 3'-chloro-2-iodo- 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: 93.0%

diiodomethane (75-11-6) + m-chlorophenyl isocyanate (2909-38-8) → N-(3-chlorophenyl)-2-iodoacetamide (17641-03-1)

Guidance literature:

With methyllithium lithium bromide; In diethyl ether; at -78 ℃;

DOI:10.1039/c3cc44255a

Reference yield: 92.1%

2-chloro-N-(3-chlorophenyl)acetamide (2564-05-8) → N-(3-chlorophenyl)-2-iodoacetamide (17641-03-1)

Guidance literature:

With potassium iodide; In acetone; at 60 ℃; for 2h;

DOI:10.1016/j.bmcl.2015.06.089

Reference yield:

3-chloro-aniline (108-42-9) → N-(3-chlorophenyl)-2-iodoacetamide (17641-03-1)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; potassium carbonate / dichloromethane / 20 h / 0 - 20 °C

2: sodium iodide / acetone / Reflux

With potassium carbonate; triethylamine; sodium iodide; In dichloromethane; acetone;

DOI:10.1016/j.ejmech.2014.12.036

upstream raw materials:

diiodomethane

m-chlorophenyl isocyanate

3-chloro-aniline

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

Downstream raw materials:

C₁₅H₁₃ClN₂O₂