2-chloro-N-(4-iodophenyl)acetamide

Base Information

• Chemical Name: 2-chloro-N-(4-iodophenyl)acetamide
• CAS No.: 2564-00-3
• Molecular Formula: C8H7 Cl I N O
• Molecular Weight: 295.507
• Hs Code.: 2924299090
• European Community (EC) Number: 660-669-5
• DSSTox Substance ID: DTXSID20352831
• Nikkaji Number: J1.589.940I
• Wikidata: Q82130217
• ChEMBL ID: CHEMBL1171687
• Mol file: 2564-00-3.mol

Synonyms:2-chloro-N-(4-iodophenyl)acetamide;2564-00-3;N1-(4-Iodophenyl)-2-chloroacetamide;SCHEMBL2320435;CHEMBL1171687;DTXSID20352831;WIUVQCIRRAAPAX-UHFFFAOYSA-N;BBL009401;MFCD00171531;STK116333;AKOS000283602;2-chloro-N-(4-iodo-phenyl)-acetamide;JS-3009;BB 0217405;CS-0307522;FT-0634365;EN300-01626;10.14272/WIUVQCIRRAAPAX-UHFFFAOYSA-N;10.14272/WIUVQCIRRAAPAX-UHFFFAOYSA-N.1;doi:10.14272/WIUVQCIRRAAPAX-UHFFFAOYSA-N;doi:10.14272/WIUVQCIRRAAPAX-UHFFFAOYSA-N.1;Z56869425

Chemical Property of 2-chloro-N-(4-iodophenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.11E-06mmHg at 25°C
• Refractive Index: 1.67
• Boiling Point: 402.3°C at 760 mmHg
• Flash Point: 197.1°C
• PSA: 29.10000
• Density: 1.894g/cm³
• LogP: 2.54150
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 294.92609
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

95% ^*data from raw suppliers

2-Chloro-N-(4-iodophenyl)acetamide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)CCl)I

Technology Process of 2-chloro-N-(4-iodophenyl)acetamide

There total 4 articles about 2-chloro-N-(4-iodophenyl)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: 89.0%

chloroacetyl chloride (79-04-9) + p-aminoiodobenzene (540-37-4) → 2-chloro-N-(4-iodophenyl)acetamide (2564-00-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.jmedchem.7b01622

Reference yield: 47.0%

C14H13IN3Pol + chloroacetonitrile (107-14-2) → 2-chloro-N-(4-iodophenyl)acetamide (2564-00-3)

Guidance literature:

C₁₄H₁₃IN₃Pol; chloroacetonitrile; With boron trifluoride diethyl etherate; at 80 ℃; Merrifield resin

With water; In dichloromethane;

DOI:10.1021/acscombsci.9b00096

Reference yield:

2-bromoacetyl chloride (22118-09-8) + p-aminoiodobenzene (540-37-4) → 2-bromo-N-(4-iodo-phenyl)-acetamide (6411-03-6) + 2-chloro-N-(4-iodophenyl)acetamide (2564-00-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/acs.jmedchem.7b00485

upstream raw materials:

chloroacetyl chloride

p-aminoiodobenzene

chloroacetyl isothiocyanate

2-bromoacetyl chloride

Downstream raw materials:

N-(4-iodo-phenyl)-2-piperidin-1-yl-acetamide

1-[(4-iodo-phenylcarbamoyl)-methyl]-pyridinium; chloride

2-(4-iodo-anilino)-thiazol-4-one

p-formylphenyl p-iodophenylcarbamoylmethyl ether